4-[(5-azanyl-1-oxidanyl-1-oxidanylidene-5-sulfanylidene-pentan-2-yl)diazenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(5-azanyl-1-oxidanyl-1-oxidanylidene-5-sulfanylidene-pentan-2-yl)diazenyl]-2-oxidanyl-benzoic acid Openeye Name: 4-(4-amino-1-carboxy-4-thioxo-butyl)azo-2-hydroxy-benzoic acid CAS Name: 4-(5-amino-1-hydroxy-1-oxo-5-sulfanylidenepentan-2-yl)azo-2-hydroxybenzoic acid IUPAC Name: 4-[(5-amino-1-hydroxy-1-oxo-5-sulfanylidenepentan-2-yl)diazenyl]-2-hydroxybenzoic acid Traditional Name: 4-(4-amino-1-carboxy-4-thioxo-butyl)azo-2-hydroxy-benzoic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NC(CCC(=S)N)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=NC(CCC(=S)N)C(=O)O)O)C(=O)O

InChI

InChI=1S/C12H13N3O5S/c13-10(21)4-3-8(12(19)20)15-14-6-1-2-7(11(17)18)9(16)5-6/h1-2,5,8,16H,3-4H2,(H2,13,21)(H,17,18)(H,19,20)