1-[(4-azanyl-2-sulfo-phenyl)diazenyl]-4,5-bis(oxidanylidene)-1-(4-sulfophenyl)pyrazol-1-ium-3-carboxylic acid

Systemtic Name: 1-[(4-azanyl-2-sulfo-phenyl)diazenyl]-4,5-bis(oxidanylidene)-1-(4-sulfophenyl)pyrazol-1-ium-3-carboxylic acid Openeye Name: 1-(4-amino-2-sulfo-phenyl)azo-4,5-dioxo-1-(4-sulfophenyl)pyrazol-1-ium-3-carboxylic acid CAS Name: 1-(4-amino-2-sulfophenyl)azo-4,5-dioxo-1-(4-sulfophenyl)-3-pyrazol-1-iumcarboxylic acid IUPAC Name: 1-[(4-amino-2-sulfophenyl)diazenyl]-4,5-dioxo-1-(4-sulfophenyl)pyrazol-1-ium-3-carboxylic acid Traditional Name: 1-(4-amino-2-sulfo-phenyl)azo-4,5-diketo-1-(4-sulfophenyl)-2-pyrazolin-1-ium-3-carboxylic acid Formula: C16H12N5O10S2+ MolecularWeight: 498.42398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+]2(C(=O)C(=O)C(=N2)C(=O)O)N=NC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+]2(C(=O)C(=O)C(=N2)C(=O)O)N=NC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H11N5O10S2/c17-8-1-6-11(12(7-8)33(29,30)31)18-20-21(15(23)14(22)13(19-21)16(24)25)9-2-4-10(5-3-9)32(26,27)28/h1-7H,(H4-,17,20,24,25,26,27,28,29,30,31)/p+1