| Identification | Back 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 Properties | Back 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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