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

Systemtic Name: 2-[(5-azanyl-2-sulfo-phenyl)diazenyl]-4-oxidanylidene-2-(4-sulfophenyl)-3H-pyrazol-2-ium-5-carboxylic acid Openeye Name: 2-(5-amino-2-sulfo-phenyl)azo-4-oxo-2-(4-sulfophenyl)-3H-pyrazol-2-ium-5-carboxylic acid CAS Name: 2-(5-amino-2-sulfophenyl)azo-4-oxo-2-(4-sulfophenyl)-3H-pyrazol-2-ium-5-carboxylic acid IUPAC Name: 2-[(5-amino-2-sulfophenyl)diazenyl]-4-oxo-2-(4-sulfophenyl)-3H-pyrazol-2-ium-5-carboxylic acid Traditional Name: 1-(5-amino-2-sulfo-phenyl)azo-4-keto-1-(4-sulfophenyl)-2-pyrazolin-1-ium-3-carboxylic acid Formula: C16H14N5O9S2+ MolecularWeight: 484.44046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=N[N+]1(C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)C(=N[N+]1(C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=CC(=C3)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H13N5O9S2/c17-9-1-6-14(32(28,29)30)12(7-9)18-20-21(8-13(22)15(19-21)16(23)24)10-2-4-11(5-3-10)31(25,26)27/h1-7H,8,17H2,(H2-,23,24,25,26,27,28,29,30)/p+1