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ChemicalBook--->CAS DataBase List--->1316891-34-5

1316891-34-5

1316891-34-5 Structure

1316891-34-5 Structure
IdentificationBack Directory
[Name]

4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid
[CAS]

1316891-34-5
[Synonyms]

4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid
4-[(2,3-Dimethyl-5-sulfo-3H-indol-3-yl)methyl]benzoic acid
Benzoic acid, 4-[(2,3-dimethyl-5-sulfo-3H-indol-3-yl)methyl]-
[Molecular Formula]

C18H17NO5S
[MOL File]

1316891-34-5.mol
[Molecular Weight]

359.4
Chemical PropertiesBack Directory
[density ]

1.39±0.1 g/cm3(Predicted)
[pka]

-1.47±0.60(Predicted)
[InChI]

InChI=1S/C18H17NO5S/c1-11-18(2,10-12-3-5-13(6-4-12)17(20)21)15-9-14(25(22,23)24)7-8-16(15)19-11/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23,24)
[InChIKey]

NWJCQLOHSVQMMA-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(CC2(C)C3=C(N=C2C)C=CC(S(O)(=O)=O)=C3)C=C1
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