2-[(2,5-disulfophenyl)diazenyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[(2,5-disulfophenyl)diazenyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-(2,5-disulfophenyl)azo-3-oxo-butanoic acid CAS Name: 2-(2,5-disulfophenyl)azo-3-oxobutanoic acid IUPAC Name: 2-[(2,5-disulfophenyl)diazenyl]-3-oxobutanoic acid Traditional Name: 2-(2,5-disulfophenyl)azo-3-keto-butyric acid Formula: C10H10N2O9S2 MolecularWeight: 366.3244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)N=NC1=C(C=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)C(C(=O)O)N=NC1=C(C=CC(=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H10N2O9S2/c1-5(13)9(10(14)15)12-11-7-4-6(22(16,17)18)2-3-8(7)23(19,20)21/h2-4,9H,1H3,(H,14,15)(H,16,17,18)(H,19,20,21)