4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoic acid Openeye Name: 4-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoic acid CAS Name: 4-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]benzoic acid IUPAC Name: 4-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]benzoic acid Traditional Name: 4-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C14H11NO4S/c16-10-5-6-11(12(17)7-10)13(20)15-9-3-1-8(2-4-9)14(18)19/h1-7,15,17,20H,(H,18,19)/b13-11+