3-[4-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-1-indolyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propionic acid Formula: C23H19NO6S MolecularWeight: 437.46506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C4(C=CC(=O)C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C4(C=CC(=O)C=C4)O

InChI

InChI=1S/C23H19NO6S/c25-18-11-13-23(28,14-12-18)21-15-17-3-1-2-4-20(17)24(21)31(29,30)19-8-5-16(6-9-19)7-10-22(26)27/h1-6,8-9,11-15,28H,7,10H2,(H,26,27)