4-[1-(3-aminophenyl)sulfanyl-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[1-(3-aminophenyl)sulfanyl-2-oxidanyl-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[1-(3-aminophenyl)sulfanyl-2-hydroxy-2-oxo-ethyl]benzoic acid CAS Name: 4-[1-[(3-aminophenyl)thio]-2-hydroxy-2-oxoethyl]benzoic acid IUPAC Name: 4-[1-(3-aminophenyl)sulfanyl-2-hydroxy-2-oxoethyl]benzoic acid Traditional Name: 4-[1-[(3-aminophenyl)thio]-2-hydroxy-2-keto-ethyl]benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC(C2=CC=C(C=C2)C(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)SC(C2=CC=C(C=C2)C(=O)O)C(=O)O)N

InChI

InChI=1S/C15H13NO4S/c16-11-2-1-3-12(8-11)21-13(15(19)20)9-4-6-10(7-5-9)14(17)18/h1-8,13H,16H2,(H,17,18)(H,19,20)