3-[4-[6-fluoranyl-2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[6-fluoranyl-2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[6-fluoro-2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[6-fluoro-2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)-1-indolyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[6-fluoro-2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[6-fluoro-2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)indol-1-yl]sulfonylphenyl]propionic acid Formula: C23H18FNO6S MolecularWeight: 455.455523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)F)C4(C=CC(=O)C=C4)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)F)C4(C=CC(=O)C=C4)O

InChI

InChI=1S/C23H18FNO6S/c24-17-5-4-16-13-21(23(29)11-9-18(26)10-12-23)25(20(16)14-17)32(30,31)19-6-1-15(2-7-19)3-8-22(27)28/h1-2,4-7,9-14,29H,3,8H2,(H,27,28)