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

Systemtic Name: 2-oxidanyl-5-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoic acid Openeye Name: 2-hydroxy-5-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]benzoic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=C2C=CC(=O)C=C2O)S)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1N/C(=C\2/C=CC(=O)C=C2O)/S)C(=O)O)O

InChI

InChI=1S/C14H11NO5S/c16-8-2-3-9(12(18)6-8)13(21)15-7-1-4-11(17)10(5-7)14(19)20/h1-6,15,17-18,21H,(H,19,20)/b13-9+