2-oxidanyl-4-[[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]diazenyl]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethyl]diazenyl]benzoic acid Openeye Name: 2-hydroxy-4-[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]azo-benzoic acid CAS Name: 2-hydroxy-4-[2-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-2-oxoethyl]azobenzoic acid IUPAC Name: 2-hydroxy-4-[[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-2-oxoethyl]diazenyl]benzoic acid Traditional Name: 2-hydroxy-4-[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]azo-benzoic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NCC(=O)NC(CS)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=NCC(=O)NC(CS)C(=O)O)O)C(=O)O

InChI

InChI=1S/C12H13N3O6S/c16-9-3-6(1-2-7(9)11(18)19)15-13-4-10(17)14-8(5-22)12(20)21/h1-3,8,16,22H,4-5H2,(H,14,17)(H,18,19)(H,20,21)