4-[[3,6-bis(oxidanylidene)-4-phenylsulfanyl-cyclohexa-1,4-dien-1-yl]amino]benzoic acid

Systemtic Name: 4-[[3,6-bis(oxidanylidene)-4-phenylsulfanyl-cyclohexa-1,4-dien-1-yl]amino]benzoic acid Openeye Name: 4-[(3,6-dioxo-4-phenylsulfanyl-cyclohexa-1,4-dien-1-yl)amino]benzoic acid CAS Name: 4-[[3,6-dioxo-4-(phenylthio)-1-cyclohexa-1,4-dienyl]amino]benzoic acid IUPAC Name: 4-[(3,6-dioxo-4-phenylsulfanylcyclohexa-1,4-dien-1-yl)amino]benzoic acid Traditional Name: 4-[[3,6-diketo-4-(phenylthio)cyclohexa-1,4-dien-1-yl]amino]benzoic acid Formula: C19H13NO4S MolecularWeight: 351.37582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H13NO4S/c21-16-11-18(25-14-4-2-1-3-5-14)17(22)10-15(16)20-13-8-6-12(7-9-13)19(23)24/h1-11,20H,(H,23,24)