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Benzopyrans

Organic polycyclic compounds that consist of a benzene fused with a heterocyclic pyran ring; pyran rings are six-membered non-aromatic rings with five carbon atoms, one oxygen atom, and two double bonds.
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1 – 15 of 69 results
1

3-Isochromanone, Thermo Scientific Chemicals

CAS: 4385-35-7 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 InChI Key: ILHLUZUMRJQEAH-UHFFFAOYSA-N IUPAC Name: 3,4-dihydro-1H-2-benzopyran-3-one SMILES: O=C1CC2=CC=CC=C2CO1

CAS 4385-35-7
Molecular Weight (g/mol) 148.16
SMILES O=C1CC2=CC=CC=C2CO1
IUPAC Name 3,4-dihydro-1H-2-benzopyran-3-one
InChI Key ILHLUZUMRJQEAH-UHFFFAOYSA-N
Molecular Formula C9H8O2
3

Citrinin, MP Biomedicals™

CAS: 518-75-2 Molecular Formula: C13H14O5 Molecular Weight (g/mol): 250.25 InChI Key: CBGDIJWINPWWJW-IYSWYEEDSA-N Synonym: citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid PubChem CID: 54680783 IUPAC Name: (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid SMILES: CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

PubChem CID 54680783
CAS 518-75-2
Molecular Weight (g/mol) 250.25
SMILES CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C
Synonym citrinin,antimycin,--citrinin,citriain,3r,4s-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,unii-3s697x6snz,ccris 175,3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, 3r-trans,3r-trans-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid,4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid
IUPAC Name (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid
InChI Key CBGDIJWINPWWJW-IYSWYEEDSA-N
Molecular Formula C13H14O5
4

2-(chroman-4-yl)acetic Acid, TRC

CAS: 5655-26-5 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 IUPAC Name: 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid SMILES: OC(=O)CC1CCOc2ccccc12

CAS 5655-26-5
Molecular Weight (g/mol) 192.21
SMILES OC(=O)CC1CCOc2ccccc12
IUPAC Name 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid
Molecular Formula C11H12O3
5

(2R,3R)-2,3-Diphenyloxirane, TRC

CAS: 25144-18-7 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.24 Synonym: (alphaR,alpha'R)-trans-(+)-alpha,alpha'-Epoxybibenzyl,(2R-trans)-2,3-Diphenyloxirane,(+)-trans-2,3-Diphenyloxirane,(+)-trans-Stilbene Oxide,(R,R)-Stilbene Oxide,(R,R)-trans-Stilbene Oxide,trans-(2R,3R)-2,3-Diphenyloxirane SMILES: O1[C@@H]([C@H]1c2ccccc2)c3ccccc3

CAS 25144-18-7
Molecular Weight (g/mol) 196.24
SMILES O1[C@@H]([C@H]1c2ccccc2)c3ccccc3
Synonym (alphaR,alpha'R)-trans-(+)-alpha,alpha'-Epoxybibenzyl,(2R-trans)-2,3-Diphenyloxirane,(+)-trans-2,3-Diphenyloxirane,(+)-trans-Stilbene Oxide,(R,R)-Stilbene Oxide,(R,R)-trans-Stilbene Oxide,trans-(2R,3R)-2,3-Diphenyloxirane
Molecular Formula C14H12O
6

N-Benzyl (-)-Nebivolol, TRC

CAS: 1199945-26-0 Molecular Formula: C29H31F2NO4 Molecular Weight (g/mol): 495.56 Synonym: (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol; IUPAC Name: (1S)-2-[benzyl-[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol SMILES: C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CN(CC3=CC=CC=C3)C[C@@H]([C@@H]4CCC5=C(O4)C=CC(=C5)F)O)O

CAS 1199945-26-0
Molecular Weight (g/mol) 495.56
SMILES C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CN(CC3=CC=CC=C3)C[C@@H]([C@@H]4CCC5=C(O4)C=CC(=C5)F)O)O
Synonym (αS,α'S,2R,2'S)-α,α'-[[(Phenylmethyl)imino]bis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol;
IUPAC Name (1S)-2-[benzyl-[(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
Molecular Formula C29H31F2NO4
7

Fluorescein Isothiocyanate (>85%), TRC

CAS: 27072-45-3 Molecular Formula: C21H11NO5S Molecular Weight (g/mol): 389.38 Synonym: FITC,Isothiocyanato Fluorescein,3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one Incompletely Defined Substance,5(6)-FITC SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.CN=C=S

CAS 27072-45-3
Molecular Weight (g/mol) 389.38
SMILES C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.CN=C=S
Synonym FITC,Isothiocyanato Fluorescein,3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one Incompletely Defined Substance,5(6)-FITC
Molecular Formula C21H11NO5S
8

(1S,2R)-2-(2-Benzylamino-1-hydroxyethyl)-6-fluorochromane, TRC

CAS: 129050-27-7 Molecular Formula: C18H20FNO2 Molecular Weight (g/mol): 301.36 Synonym: 2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-,2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, [R-(R*,S*)]-,(αS,2R)-6-Fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-2H-1-benzopyran-2-methanol,(-)-(S)-N-Benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanamine,(1S)-1-((2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-[(phenylmethyl)amino]ethanol,2H-1-Benzopyran-2-methanol 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-,(1S,2R)-2-(2-Benzylamino-1-hydroxyethyl)-6-fluorochromane IUPAC Name: (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol SMILES: O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2

CAS 129050-27-7
Molecular Weight (g/mol) 301.36
SMILES O[C@@H](CNCc1ccccc1)[C@H]2CCc3cc(F)ccc3O2
Synonym 2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-,2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, [R-(R*,S*)]-,(αS,2R)-6-Fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-2H-1-benzopyran-2-methanol,(-)-(S)-N-Benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanamine,(1S)-1-((2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-[(phenylmethyl)amino]ethanol,2H-1-Benzopyran-2-methanol 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-,(1S,2R)-2-(2-Benzylamino-1-hydroxyethyl)-6-fluorochromane
IUPAC Name (1S)-2-(benzylamino)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethanol
Molecular Formula C18H20FNO2
9

2-[(5-Fluoresceinyl)aminocarbonyl]ethyl Methanethiosulfonate, TRC

CAS: 351330-42-2 Molecular Formula: C24 H19 N O8 S2 Molecular Weight (g/mol): 513.54 IUPAC Name: N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-methylsulfonylsulfanylpropanamide SMILES: CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35

CAS 351330-42-2
Molecular Weight (g/mol) 513.54
SMILES CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(O)cc4Oc5cc(O)ccc35
IUPAC Name N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-3-methylsulfonylsulfanylpropanamide
Molecular Formula C24 H19 N O8 S2
10

Precocene 2, TRC

CAS: 644-06-4 Molecular Formula: C13 H16 O3 Molecular Weight (g/mol): 220.26 Synonym: Precocene 2,Precocene 2 IUPAC Name: 6,7-dimethoxy-2,2-dimethylchromene SMILES: COc1cc2OC(C)(C)C=Cc2cc1OC

CAS 644-06-4
Molecular Weight (g/mol) 220.26
SMILES COc1cc2OC(C)(C)C=Cc2cc1OC
Synonym Precocene 2,Precocene 2
IUPAC Name 6,7-dimethoxy-2,2-dimethylchromene
Molecular Formula C13 H16 O3
11

Diethyl Cromoglycate, TRC

CAS: 16150-45-1 Molecular Formula: C27 H24 O11 Molecular Weight (g/mol): 524.47 Synonym: Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate),Sodium Cromoglicate Imp. B (EP),Ethyl Cromoglicate,Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate) IUPAC Name: ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate SMILES: CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1

CAS 16150-45-1
Molecular Weight (g/mol) 524.47
SMILES CCOC(=O)C1=CC(=O)c2c(OCC(O)COc3cccc4OC(=CC(=O)c34)C(=O)OCC)cccc2O1
Synonym Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)dioxy]bis(4-oxo-4H-1-benzopyran-2-carboxylate),Sodium Cromoglicate Imp. B (EP),Ethyl Cromoglicate,Diethyl 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)
IUPAC Name ethyl 5-[3-(2-ethoxycarbonyl-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
Molecular Formula C27 H24 O11
14

Rhodamine 110, TRC

CAS: 13558-31-1 Molecular Formula: C20 H14 N2 O3 . Cl H Molecular Weight (g/mol): 366.8 Synonym: 3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic Acid Monohydrochloride,3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,R 110,RH 110,Rhodamine 560,Rhodamine N IUPAC Name: 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride SMILES: Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O

CAS 13558-31-1
Molecular Weight (g/mol) 366.8
SMILES Cl.Nc1ccc2C(=C3C=CC(=N)C=C3Oc2c1)c4ccccc4C(=O)O
Synonym 3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic Acid Monohydrochloride,3,6-Diamino-9-(2-carboxyphenyl)xanthylium Chloride,R 110,RH 110,Rhodamine 560,Rhodamine N
IUPAC Name 2-(3-amino-6-iminoxanthen-9-yl)benzoic acid;hydrochloride
Molecular Formula C20 H14 N2 O3 . Cl H
15

2',7'-Dichlorofluorescein diacetate, TRC

CAS: 2044-85-1 Molecular Formula: C24H14Cl2O7 Molecular Weight (g/mol): 485.27 Synonym: MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one SMILES: CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl

CAS 2044-85-1
Molecular Weight (g/mol) 485.27
SMILES CC(=O)Oc1cc2Oc3cc(OC(=O)C)c(Cl)cc3C4(OC(=O)c5ccccc45)c2cc1Cl
Synonym MFCD 37501,3',6'-Bis(acetyloxy)-2',7'-dichlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Molecular Formula C24H14Cl2O7