1-methylidene-2-[oxidanyl-(4-sulfophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 1-methylidene-2-[oxidanyl-(4-sulfophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 2-[hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 2-[hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 2-[hydroxy-(4-sulfophenyl)methyl]-1-methylidene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 2-[hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-$b-carboline-3-carboxylic acid Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=C(CC(N1C(C3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O)C4=CC=CC=C4N2

Isomeric SMILES

C=C1C2=C(CC(N1C(C3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O)C4=CC=CC=C4N2

InChI

InChI=1S/C20H18N2O6S/c1-11-18-15(14-4-2-3-5-16(14)21-18)10-17(20(24)25)22(11)19(23)12-6-8-13(9-7-12)29(26,27)28/h2-9,17,19,21,23H,1,10H2,(H,24,25)(H,26,27,28)