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Enediols

Organic compounds that contain alkenes with a hydroxyl functional group on each carbon of the double bond (C=C).

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Thermo Scientific Chemicals D(-)-Isoascorbic acid, 98%

CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O

PubChem CID 54675810
CAS 89-65-6
Molecular Weight (g/mol) 198.11
ChEBI CHEBI:51438
MDL Number MFCD00005378
SMILES [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
Synonym erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5
IUPAC Name (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key IFVCRSPJFHGFCG-HXPAKLQESA-N
Molecular Formula C6H7NaO6
2

D-(-)-Isoascorbic acid, 98%

CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O

PubChem CID 54675810
CAS 89-65-6
Molecular Weight (g/mol) 198.11
ChEBI CHEBI:51438
MDL Number MFCD00005378
SMILES [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
Synonym erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5
IUPAC Name (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key IFVCRSPJFHGFCG-HXPAKLQESA-N
Molecular Formula C6H7NaO6
3

3,4,6-Tri-O-methyl-D-glucal, 97%

CAS: 16740-98-0 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD22989010 InChI Key: PZJPNKKRMNFDQJ-UHFFFAOYNA-N Synonym: tri-o-methyl-d-glucal,3,4,6-tri-o-methyl-d-glucal,tri-o-methyl glucal,2r,3s,4r-3,4-dimethoxy-2-methoxymethyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-trimethyl-1,2-dideoxy-d-arabino-1-hexenopyranose PubChem CID: 11252452 SMILES: COCC1OC=CC(OC)C1OC

PubChem CID 11252452
CAS 16740-98-0
Molecular Weight (g/mol) 188.22
MDL Number MFCD22989010
SMILES COCC1OC=CC(OC)C1OC
Synonym tri-o-methyl-d-glucal,3,4,6-tri-o-methyl-d-glucal,tri-o-methyl glucal,2r,3s,4r-3,4-dimethoxy-2-methoxymethyl-3,4-dihydro-2h-pyran,3-o,4-o,6-o-trimethyl-1,2-dideoxy-d-arabino-1-hexenopyranose
InChI Key PZJPNKKRMNFDQJ-UHFFFAOYNA-N
Molecular Formula C9H16O4
5

3-Deoxy-1,2:5,6-di-O-isopropylidene-Alpha-D-glucofuranose, TRC

CAS: 4613-62-1 Molecular Formula: C12H20O5 Molecular Weight (g/mol): 244.29 Synonym: 3-Deoxy-1,2:5,6-di-O-isopropyliden-alpha-D-ribo Hexafuranose; SMILES: CC1(C)OC[C@@H](O1)[C@@H]2C[C@H]3OC(C)(C)O[C@H]3O2

CAS 4613-62-1
Molecular Weight (g/mol) 244.29
SMILES CC1(C)OC[C@@H](O1)[C@@H]2C[C@H]3OC(C)(C)O[C@H]3O2
Synonym 3-Deoxy-1,2:5,6-di-O-isopropyliden-alpha-D-ribo Hexafuranose;
Molecular Formula C12H20O5
6

Dipropylene glycol, mixture of isomers, 99%

CAS: 25265-71-8 Molecular Weight (g/mol): 134.18 InChI Key: AZUXKVXMJOIAOF-UHFFFAOYNA-N PubChem CID: 8087 IUPAC Name: 1-(2-hydroxypropoxy)propan-2-ol SMILES: CC(O)COCC(C)O

EDGE
PubChem CID 8087
CAS 25265-71-8
Molecular Weight (g/mol) 134.18
SMILES CC(O)COCC(C)O
IUPAC Name 1-(2-hydroxypropoxy)propan-2-ol
InChI Key AZUXKVXMJOIAOF-UHFFFAOYNA-N
7
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Hematein

CAS: 475-25-2 Molecular Formula: C16H12O6 Molecular Weight (g/mol): 300.27 MDL Number: MFCD00036187 InChI Key: HLUCICHZHWJHLL-UHFFFAOYNA-N Synonym: hematein,haematein,hematine,hydroxybrasilein,benz b indeno 1,2-d pyran-9 6h-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy,3,4,6a,10-tetrahydroxy-6,7-dihydroindeno 2,1-c chromen-9-one,3,4,6a,10-tetrahydroxy-6a,7-dihydrobenz b indeno 1,2-d pyran-9 6h-one,6a,7-dihydro-3,4,6a,10-tetrahydroxybenz b indeno 1,2-d pyran-9 6h-one,hematein,haematein,hydroxybrazilein,hydroxybrasilein,c.i.75290,hydroxybrazilein PubChem CID: 10138 IUPAC Name: 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one SMILES: OC1=CC=C2C3=C4C=C(O)C(=O)C=C4CC3(O)COC2=C1O

PubChem CID 10138
CAS 475-25-2
Molecular Weight (g/mol) 300.27
MDL Number MFCD00036187
SMILES OC1=CC=C2C3=C4C=C(O)C(=O)C=C4CC3(O)COC2=C1O
Synonym hematein,haematein,hematine,hydroxybrasilein,benz b indeno 1,2-d pyran-9 6h-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy,3,4,6a,10-tetrahydroxy-6,7-dihydroindeno 2,1-c chromen-9-one,3,4,6a,10-tetrahydroxy-6a,7-dihydrobenz b indeno 1,2-d pyran-9 6h-one,6a,7-dihydro-3,4,6a,10-tetrahydroxybenz b indeno 1,2-d pyran-9 6h-one,hematein,haematein,hydroxybrazilein,hydroxybrasilein,c.i.75290,hydroxybrazilein
IUPAC Name 3,4,6a,10-tetrahydroxy-6,7-dihydroindeno[2,1-c]chromen-9-one
InChI Key HLUCICHZHWJHLL-UHFFFAOYNA-N
Molecular Formula C16H12O6
8
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Boron trifluoride etherate, approx. 48% BF3

CAS: 109-63-7 Molecular Formula: C4H10BF3O Molecular Weight (g/mol): 141.93 MDL Number: MFCD00013194 InChI Key: KZMGYPLQYOPHEL-UHFFFAOYSA-N Synonym: Boron trifluoride ethyl ether PubChem CID: 8000 IUPAC Name: ethoxyethane;trifluoroborane SMILES: FB(F)F.CCOCC

PubChem CID 8000
CAS 109-63-7
Molecular Weight (g/mol) 141.93
MDL Number MFCD00013194
SMILES FB(F)F.CCOCC
Synonym Boron trifluoride ethyl ether
IUPAC Name ethoxyethane;trifluoroborane
InChI Key KZMGYPLQYOPHEL-UHFFFAOYSA-N
Molecular Formula C4H10BF3O
9

3,3'-Di-n-propylthiacarbocyanine iodide, 96%, Thermo Scientific Chemicals

CAS: 53336-12-2 Molecular Formula: C23H25IN2S2 Molecular Weight (g/mol): 520.49 MDL Number: MFCD00013340 InChI Key: JGTCEHAVVINOPG-UHFFFAOYSA-M Synonym: 3,3'-dipropylthiacarbocyanine iodide,3-propyl-2-3-3-propyl-2 3h benzothiazolylidene-1-propenyl benzothiazolium iodide,3-propyl-2-1e,3z-3-3-propylbenzo d thiazol-2 3h-ylidene prop-1-en-1-yl benzo d thiazol-3-ium iodide PubChem CID: 57369736 SMILES: [I-].CCCN1C(SC2=CC=CC=C12)=CC=CC1=[N+](CCC)C2=CC=CC=C2S1

PubChem CID 57369736
CAS 53336-12-2
Molecular Weight (g/mol) 520.49
MDL Number MFCD00013340
SMILES [I-].CCCN1C(SC2=CC=CC=C12)=CC=CC1=[N+](CCC)C2=CC=CC=C2S1
Synonym 3,3'-dipropylthiacarbocyanine iodide,3-propyl-2-3-3-propyl-2 3h benzothiazolylidene-1-propenyl benzothiazolium iodide,3-propyl-2-1e,3z-3-3-propylbenzo d thiazol-2 3h-ylidene prop-1-en-1-yl benzo d thiazol-3-ium iodide
InChI Key JGTCEHAVVINOPG-UHFFFAOYSA-M
Molecular Formula C23H25IN2S2
10

6-Methoxy-2(3H)-benzoxazolone, 98+%

CAS: 532-91-2 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00051726 InChI Key: MKMCJLMBVKHUMS-UHFFFAOYSA-N Synonym: coixol,6-methoxy-2-benzoxazolinone,6-methoxybenzo d oxazol-2 3h-one,6-methoxybenzoxazolinone,mboa,6-mboa,6-methoxy-2 3h-benzoxazolone,2-benzoxazolinone, 6-methoxy,2 3h-benzoxazolone, 6-methoxy,6-methoxy-1,3-benzoxazol-2 3h-one PubChem CID: 10772 IUPAC Name: 6-methoxy-3H-1,3-benzoxazol-2-one SMILES: COC1=CC2=C(C=C1)NC(=O)O2

PubChem CID 10772
CAS 532-91-2
Molecular Weight (g/mol) 165.148
MDL Number MFCD00051726
SMILES COC1=CC2=C(C=C1)NC(=O)O2
Synonym coixol,6-methoxy-2-benzoxazolinone,6-methoxybenzo d oxazol-2 3h-one,6-methoxybenzoxazolinone,mboa,6-mboa,6-methoxy-2 3h-benzoxazolone,2-benzoxazolinone, 6-methoxy,2 3h-benzoxazolone, 6-methoxy,6-methoxy-1,3-benzoxazol-2 3h-one
IUPAC Name 6-methoxy-3H-1,3-benzoxazol-2-one
InChI Key MKMCJLMBVKHUMS-UHFFFAOYSA-N
Molecular Formula C8H7NO3
11

6-Ethoxy-2-mercaptobenzothiazole, 99%

CAS: 120-53-6 Molecular Formula: C9H9NOS2 Molecular Weight (g/mol): 211.297 MDL Number: MFCD00005782 InChI Key: HOASVNMVYBSLSU-UHFFFAOYSA-N Synonym: 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy PubChem CID: 719344 IUPAC Name: 6-ethoxy-3H-1,3-benzothiazole-2-thione SMILES: CCOC1=CC2=C(C=C1)NC(=S)S2

PubChem CID 719344
CAS 120-53-6
Molecular Weight (g/mol) 211.297
MDL Number MFCD00005782
SMILES CCOC1=CC2=C(C=C1)NC(=S)S2
Synonym 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy
IUPAC Name 6-ethoxy-3H-1,3-benzothiazole-2-thione
InChI Key HOASVNMVYBSLSU-UHFFFAOYSA-N
Molecular Formula C9H9NOS2
12

5-Methoxy-2-methylbenzothiazole, 97%, Thermo Scientific Chemicals

CAS: 2941-69-7 Molecular Formula: C9H9NOS Molecular Weight (g/mol): 179.24 MDL Number: MFCD00082664 InChI Key: SAQMNBWVOKYKPZ-UHFFFAOYSA-N PubChem CID: 76252 IUPAC Name: 5-methoxy-2-methyl-1,3-benzothiazole SMILES: COC1=CC=C2SC(C)=NC2=C1

PubChem CID 76252
CAS 2941-69-7
Molecular Weight (g/mol) 179.24
MDL Number MFCD00082664
SMILES COC1=CC=C2SC(C)=NC2=C1
IUPAC Name 5-methoxy-2-methyl-1,3-benzothiazole
InChI Key SAQMNBWVOKYKPZ-UHFFFAOYSA-N
Molecular Formula C9H9NOS
13

2-Amino-6-methoxybenzothiazole, 98%

CAS: 1747-60-0 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.225 MDL Number: MFCD00005787 InChI Key: KZHGPDSVHSDCMX-UHFFFAOYSA-N Synonym: 2-amino-6-methoxybenzothiazole,6-methoxybenzo d thiazol-2-amine,2-benzothiazolamine, 6-methoxy,6-methoxy-2-aminobenzothiazole,2-amino-6-methoxy benzothiazole,benzothiazole, 2-amino-6-methoxy,6-methoxy-2-benzothiazolamine,6-methoxybenzothiazol-2-ylamine,unii-lat2842yvx,ccris 1393 PubChem CID: 15630 IUPAC Name: 6-methoxy-1,3-benzothiazol-2-amine SMILES: COC1=CC2=C(C=C1)N=C(S2)N

PubChem CID 15630
CAS 1747-60-0
Molecular Weight (g/mol) 180.225
MDL Number MFCD00005787
SMILES COC1=CC2=C(C=C1)N=C(S2)N
Synonym 2-amino-6-methoxybenzothiazole,6-methoxybenzo d thiazol-2-amine,2-benzothiazolamine, 6-methoxy,6-methoxy-2-aminobenzothiazole,2-amino-6-methoxy benzothiazole,benzothiazole, 2-amino-6-methoxy,6-methoxy-2-benzothiazolamine,6-methoxybenzothiazol-2-ylamine,unii-lat2842yvx,ccris 1393
IUPAC Name 6-methoxy-1,3-benzothiazol-2-amine
InChI Key KZHGPDSVHSDCMX-UHFFFAOYSA-N
Molecular Formula C8H8N2OS
14

2-Amino-4-methoxybenzothiazole, 97%

CAS: 5464-79-9 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.225 MDL Number: MFCD00005792 InChI Key: YEBCRAVYUWNFQT-UHFFFAOYSA-N Synonym: 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci PubChem CID: 21622 IUPAC Name: 4-methoxy-1,3-benzothiazol-2-amine SMILES: COC1=C2C(=CC=C1)SC(=N2)N

PubChem CID 21622
CAS 5464-79-9
Molecular Weight (g/mol) 180.225
MDL Number MFCD00005792
SMILES COC1=C2C(=CC=C1)SC(=N2)N
Synonym 2-amino-4-methoxybenzothiazole,4-methoxy-2-aminobenzothiazole,2-benzothiazolamine, 4-methoxy,4-methoxybenzo d thiazol-2-amine,2-amino-4-methoxy-benzothiazole,benzothiazole, 2-amino-4-methoxy,4-methoxy-benzothiazol-2-ylamine,4-methoxybenzothiazol-2-ylamine,4-methoxybenzothiazole-2-ylamine,2-benzothiazolamine, 4-methoxy-9ci
IUPAC Name 4-methoxy-1,3-benzothiazol-2-amine
InChI Key YEBCRAVYUWNFQT-UHFFFAOYSA-N
Molecular Formula C8H8N2OS
15
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Thermo Scientific Chemicals (±)-alpha-Tocopherol, 95%, synthetic

CAS: 10191-41-0 Molecular Formula: C29H50O2 Molecular Weight (g/mol): 430.72 MDL Number: MFCD00072051 InChI Key: GVJHHUAWPYXKBD-IEOSBIPESA-N Synonym: vitamin e,alpha-tocopherol,d-alpha-tocopherol,5,7,8-trimethyltocol,+-alpha-tocopherol,r,r,r-alpha-tocopherol,phytogermine,eprolin,2r,4'r,8'r-alpha-tocopherol,dl-a-tocopherol PubChem CID: 14985 ChEBI: CHEBI:18145 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1

PubChem CID 14985
CAS 10191-41-0
Molecular Weight (g/mol) 430.72
ChEBI CHEBI:18145
MDL Number MFCD00072051
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
Synonym vitamin e,alpha-tocopherol,d-alpha-tocopherol,5,7,8-trimethyltocol,+-alpha-tocopherol,r,r,r-alpha-tocopherol,phytogermine,eprolin,2r,4'r,8'r-alpha-tocopherol,dl-a-tocopherol
InChI Key GVJHHUAWPYXKBD-IEOSBIPESA-N
Molecular Formula C29H50O2