2-(1-oxidanylidene-2-phenyl-6-sulfo-3,4-dihydropyrido[3,4-b]indol-9-yl)ethanoic acid

Systemtic Name: 2-(1-oxidanylidene-2-phenyl-6-sulfo-3,4-dihydropyrido[3,4-b]indol-9-yl)ethanoic acid Openeye Name: 2-(1-oxo-2-phenyl-6-sulfo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid CAS Name: 2-(1-oxo-2-phenyl-6-sulfo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid IUPAC Name: 2-(1-oxo-2-phenyl-6-sulfo-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid Traditional Name: 2-(1-keto-2-phenyl-6-sulfo-3,4-dihydro-$b-carbolin-9-yl)acetic acid Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C3=C(N2CC(=O)O)C=CC(=C3)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C2=C1C3=C(N2CC(=O)O)C=CC(=C3)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C19H16N2O6S/c22-17(23)11-21-16-7-6-13(28(25,26)27)10-15(16)14-8-9-20(19(24)18(14)21)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,22,23)(H,25,26,27)