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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (561)
Fluorenes (95)
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Phenol esters (2)

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1 – 15 of 341 results
1

m-Tolyl acetate, 97%

EDGE
2

Phenylacetaldehyde, 95%

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

EDGE
PubChem CID 998
CAS 122-78-1
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:16424
MDL Number MFCD00006993
SMILES O=CCC1=CC=CC=C1
Synonym phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
IUPAC Name 2-phenylacetaldehyde
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula C8H8O
3

Divinylbenzene, 80%, mixture of isomers, stab. with 1000ppm 4-tert-butylcatechol

CAS: 1321-74-0 Molecular Formula: C10H10 Molecular Weight (g/mol): 130.19 MDL Number: MFCD01778656,MFCD00010654 InChI Key: MYRTYDVEIRVNKP-UHFFFAOYSA-N Synonym: divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb PubChem CID: 66666 IUPAC Name: 1,2-bis(ethenyl)benzene SMILES: C=CC1=CC=CC=C1C=C

EDGE
PubChem CID 66666
CAS 1321-74-0
Molecular Weight (g/mol) 130.19
MDL Number MFCD01778656,MFCD00010654
SMILES C=CC1=CC=CC=C1C=C
Synonym divinylbenzene,1,2-divinylbenzene,o-divinylbenzene,benzene, diethenyl,benzene, 1,2-diethenyl,divinylbenzen,divinyl benzen,divinyl-benzene,poly divinylbenzene,divinylbenzene dvb
IUPAC Name 1,2-bis(ethenyl)benzene
InChI Key MYRTYDVEIRVNKP-UHFFFAOYSA-N
Molecular Formula C10H10
4

2-Tetralone, 99%

CAS: 530-93-8 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00001727 InChI Key: KCKZIWSINLBROE-UHFFFAOYSA-N Synonym: 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene PubChem CID: 68266 IUPAC Name: 3,4-dihydro-1H-naphthalen-2-one SMILES: C1CC2=CC=CC=C2CC1=O

EDGE
PubChem CID 68266
CAS 530-93-8
Molecular Weight (g/mol) 146.189
MDL Number MFCD00001727
SMILES C1CC2=CC=CC=C2CC1=O
Synonym 2-tetralone,beta-tetralone,1,2,3,4-tetrahydro-2-naphthalenone,3,4-dihydronaphthalen-2 1h-one,1,2,3,4-tetrahydronaphthalen-2-one,2 1h-naphthalenone, 3,4-dihydro,.beta.-tetralone,tetralin-2-one,3,4-dihydro-2 1h-naphthalenone,3,4-dihydro-2-oxonaphthalene
IUPAC Name 3,4-dihydro-1H-naphthalen-2-one
InChI Key KCKZIWSINLBROE-UHFFFAOYSA-N
Molecular Formula C10H10O
5

4-tert-Butylstyrene, 94%, stab. with 50 ppm 4-tert-butylcatechol

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

EDGE
PubChem CID 15627
CAS 1746-23-2
Molecular Weight (g/mol) 160.26
MDL Number MFCD00065126
SMILES CC(C)(C)C1=CC=C(C=C1)C=C
Synonym 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene
IUPAC Name 1-tert-butyl-4-ethenylbenzene
InChI Key QEDJMOONZLUIMC-UHFFFAOYSA-N
Molecular Formula C12H16
6

4-Mercaptophenylacetic acid, 97%

CAS: 39161-84-7 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00797617 InChI Key: ORXSLDYRYTVAPC-UHFFFAOYSA-N Synonym: 4-mercaptophenylacetic acid,2-4-mercaptophenyl acetic acid,2-4-sulfanylphenyl acetic acid,benzeneacetic acid, 4-mercapto,4-mercapto-phenyl-acetic acid,acmc-20amfq,4-mercaptobenzeneacetate,4-mercapto-phenylacetic acid,4-mercaptophenyl acetic acid,4-mercapto-phenyl acetic acid PubChem CID: 3390511 IUPAC Name: 2-(4-sulfanylphenyl)acetic acid SMILES: OC(=O)CC1=CC=C(S)C=C1

PubChem CID 3390511
CAS 39161-84-7
Molecular Weight (g/mol) 168.21
MDL Number MFCD00797617
SMILES OC(=O)CC1=CC=C(S)C=C1
Synonym 4-mercaptophenylacetic acid,2-4-mercaptophenyl acetic acid,2-4-sulfanylphenyl acetic acid,benzeneacetic acid, 4-mercapto,4-mercapto-phenyl-acetic acid,acmc-20amfq,4-mercaptobenzeneacetate,4-mercapto-phenylacetic acid,4-mercaptophenyl acetic acid,4-mercapto-phenyl acetic acid
IUPAC Name 2-(4-sulfanylphenyl)acetic acid
InChI Key ORXSLDYRYTVAPC-UHFFFAOYSA-N
Molecular Formula C8H8O2S
7

Ribonucleic acid from Baker's yeast

CAS: 63231-63-0 MDL Number: MFCD00132196 IUPAC Name: Ribonucleic acid

CAS 63231-63-0
MDL Number MFCD00132196
IUPAC Name Ribonucleic acid
8

Tetrakis(triphenylphosphine)platinum(0), Pt 15.2% min

CAS: 14221-02-4 Molecular Formula: C72H60P4Pt Molecular Weight (g/mol): 1244.25 MDL Number: MFCD00010014 InChI Key: SYKXNRFLNZUGAJ-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine platinum 0,tetrakis triphenylphosphine platinum,platinum; triphenylphosphane,pt pph3 4,platinum tetratriphenylphosphine,platinum, tetrakis triphenylphosphine-, t-4,platinum 0-tetrakis triphenylphosphine,platinum; triphenylphosphine,tetrakis triphenylphosphine platinum 0 1g PubChem CID: 11979705 IUPAC Name: platinum;triphenylphosphane SMILES: [Pt].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 11979705
CAS 14221-02-4
Molecular Weight (g/mol) 1244.25
MDL Number MFCD00010014
SMILES [Pt].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym tetrakis triphenylphosphine platinum 0,tetrakis triphenylphosphine platinum,platinum; triphenylphosphane,pt pph3 4,platinum tetratriphenylphosphine,platinum, tetrakis triphenylphosphine-, t-4,platinum 0-tetrakis triphenylphosphine,platinum; triphenylphosphine,tetrakis triphenylphosphine platinum 0 1g
IUPAC Name platinum;triphenylphosphane
InChI Key SYKXNRFLNZUGAJ-UHFFFAOYSA-N
Molecular Formula C72H60P4Pt
9

Dizocilpine maleate, 99+%

CAS: 77086-22-7 Molecular Formula: C20H19NO4 Molecular Weight (g/mol): 337.375 MDL Number: MFCD00082465 InChI Key: QLTXKCWMEZIHBJ-PJGJYSAQSA-N Synonym: dizocilpine maleate,+-mk-801 hydrogen maleate,+-mk 801 maleate,dizocilpine hydrogen maleate,unii-6lr8c1b66q,dizocilpine maleate usan,dsstox_cid_25785,dsstox_rid_81126 PubChem CID: 6420042 SMILES: CC12C3=CC=CC=C3CC(N1)C4=CC=CC=C24.C(=CC(=O)O)C(=O)O

PubChem CID 6420042
CAS 77086-22-7
Molecular Weight (g/mol) 337.375
MDL Number MFCD00082465
SMILES CC12C3=CC=CC=C3CC(N1)C4=CC=CC=C24.C(=CC(=O)O)C(=O)O
Synonym dizocilpine maleate,+-mk-801 hydrogen maleate,+-mk 801 maleate,dizocilpine hydrogen maleate,unii-6lr8c1b66q,dizocilpine maleate usan,dsstox_cid_25785,dsstox_rid_81126
InChI Key QLTXKCWMEZIHBJ-PJGJYSAQSA-N
Molecular Formula C20H19NO4
10

9-Vinylanthracene, 97%

CAS: 2444-68-0 Molecular Formula: C16H12 Molecular Weight (g/mol): 204.272 MDL Number: MFCD00003576 InChI Key: OGOYZCQQQFAGRI-UHFFFAOYSA-N Synonym: 9-vinylanthracene,anthracene, 9-ethenyl,unii-a3692nge8j,9-vinyl-anthracene,9-ethenyl anthracene,9-ethenylanthracen,10-vinylanthracene PubChem CID: 17125 IUPAC Name: 9-ethenylanthracene SMILES: C=CC1=C2C=CC=CC2=CC3=CC=CC=C31

PubChem CID 17125
CAS 2444-68-0
Molecular Weight (g/mol) 204.272
MDL Number MFCD00003576
SMILES C=CC1=C2C=CC=CC2=CC3=CC=CC=C31
Synonym 9-vinylanthracene,anthracene, 9-ethenyl,unii-a3692nge8j,9-vinyl-anthracene,9-ethenyl anthracene,9-ethenylanthracen,10-vinylanthracene
IUPAC Name 9-ethenylanthracene
InChI Key OGOYZCQQQFAGRI-UHFFFAOYSA-N
Molecular Formula C16H12
11

4-Methoxybenzhydrol, 98+%

CAS: 720-44-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00014398 InChI Key: BEGZWXVLBIZFKQ-UHFFFAOYSA-N Synonym: 4-methoxybenzhydrol,4-methoxyphenyl phenyl methanol,4-methoxybenzhydryl alcohol,benzenemethanol, 4-methoxy-.alpha.-phenyl,4-methoxyphenyl phenylmethan-1-ol,4-methoxy-phenyl-phenyl-methanol,mamp-oh resin,4-methoxybenzohydrol,acmc-209olf,p-methoxybenzhydryl alcohol PubChem CID: 95375 IUPAC Name: (4-methoxyphenyl)-phenylmethanol SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)O

PubChem CID 95375
CAS 720-44-5
Molecular Weight (g/mol) 214.264
MDL Number MFCD00014398
SMILES COC1=CC=C(C=C1)C(C2=CC=CC=C2)O
Synonym 4-methoxybenzhydrol,4-methoxyphenyl phenyl methanol,4-methoxybenzhydryl alcohol,benzenemethanol, 4-methoxy-.alpha.-phenyl,4-methoxyphenyl phenylmethan-1-ol,4-methoxy-phenyl-phenyl-methanol,mamp-oh resin,4-methoxybenzohydrol,acmc-209olf,p-methoxybenzhydryl alcohol
IUPAC Name (4-methoxyphenyl)-phenylmethanol
InChI Key BEGZWXVLBIZFKQ-UHFFFAOYSA-N
Molecular Formula C14H14O2
12

N-Fmoc-glycine, 98%

CAS: 29022-11-5 Molecular Formula: C17H15NO4 Molecular Weight (g/mol): 297.31 MDL Number: MFCD00037140 InChI Key: NDKDFTQNXLHCGO-UHFFFAOYSA-N Synonym: fmoc-gly-oh,fmoc-glycine,n-9h-fluoren-9-ylmethoxy carbonyl glycine,n-fmoc-glycine,fmoc-dl-glycine,n-9-fmoc-l-glycine,n-alpha-fmoc-glycine,fmoc-gly,n-9-fluorenylmethoxycarbonyl glycine PubChem CID: 93124 IUPAC Name: 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid SMILES: OC(=O)CNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

PubChem CID 93124
CAS 29022-11-5
Molecular Weight (g/mol) 297.31
MDL Number MFCD00037140
SMILES OC(=O)CNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym fmoc-gly-oh,fmoc-glycine,n-9h-fluoren-9-ylmethoxy carbonyl glycine,n-fmoc-glycine,fmoc-dl-glycine,n-9-fmoc-l-glycine,n-alpha-fmoc-glycine,fmoc-gly,n-9-fluorenylmethoxycarbonyl glycine
IUPAC Name 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
InChI Key NDKDFTQNXLHCGO-UHFFFAOYSA-N
Molecular Formula C17H15NO4
13

4-Acetophenetidide, 97%

CAS: 62-44-2 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.22 MDL Number: MFCD00009094 InChI Key: CPJSUEIXXCENMM-UHFFFAOYSA-N Synonym: phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin PubChem CID: 4754 ChEBI: CHEBI:8050 IUPAC Name: N-(4-ethoxyphenyl)acetamide SMILES: CCOC1=CC=C(C=C1)NC(=O)C

PubChem CID 4754
CAS 62-44-2
Molecular Weight (g/mol) 179.22
ChEBI CHEBI:8050
MDL Number MFCD00009094
SMILES CCOC1=CC=C(C=C1)NC(=O)C
Synonym phenacetin,acetophenetidin,n-4-ethoxyphenyl acetamide,acetphenetidin,acetophenetidine,acetophenetin,phenacetine,p-acetophenetidide,contradouleur,achrocidin
IUPAC Name N-(4-ethoxyphenyl)acetamide
InChI Key CPJSUEIXXCENMM-UHFFFAOYSA-N
Molecular Formula C10H13NO2
14

Glybenzcyclamide, 99%

CAS: 10238-21-8 Molecular Formula: C23H28ClN3O5S Molecular Weight (g/mol): 494.003 MDL Number: MFCD00056625 InChI Key: ZNNLBTZKUZBEKO-UHFFFAOYSA-N Synonym: glyburide,glibenclamide,glybenclamide,micronase,diabeta,glynase,daonil,euglucon,maninil,semi-daonil PubChem CID: 3488 ChEBI: CHEBI:5441 IUPAC Name: 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide SMILES: COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3

PubChem CID 3488
CAS 10238-21-8
Molecular Weight (g/mol) 494.003
ChEBI CHEBI:5441
MDL Number MFCD00056625
SMILES COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3
Synonym glyburide,glibenclamide,glybenclamide,micronase,diabeta,glynase,daonil,euglucon,maninil,semi-daonil
IUPAC Name 5-chloro-N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
InChI Key ZNNLBTZKUZBEKO-UHFFFAOYSA-N
Molecular Formula C23H28ClN3O5S
15

Methyl 2,5-difluoro-4-nitrobenzoate, 95%

CAS: 924868-81-5 Molecular Formula: C8H5F2NO4 Molecular Weight (g/mol): 217.13 MDL Number: MFCD08689670 InChI Key: XBUVRWIIEREYFL-UHFFFAOYSA-N Synonym: methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester PubChem CID: 18526058 IUPAC Name: methyl 2,5-difluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O

PubChem CID 18526058
CAS 924868-81-5
Molecular Weight (g/mol) 217.13
MDL Number MFCD08689670
SMILES COC(=O)C1=CC(F)=C(C=C1F)[N+]([O-])=O
Synonym methyl 2,5-difluoro-4-nitrobenzenecarboxylate,methyl2,5-difluoro-4-nitrobenzoate,benzoic acid, 2,5-difluoro-4-nitro-, methyl ester,methyldifluoronitrobenzenecarboxylate,methyl-2,5-difluoro-4-nitrobenzoate,2,5-difluoro-4-methoxycarbonyl nitrobenzene,2,5-difluoro-4-nitro-benzoic acid methyl ester
IUPAC Name methyl 2,5-difluoro-4-nitrobenzoate
InChI Key XBUVRWIIEREYFL-UHFFFAOYSA-N
Molecular Formula C8H5F2NO4