5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid; tetramethylazanium

Systemtic Name: 5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid; tetramethylazanium Openeye Name: 5-oxo-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid; tetramethylammonium CAS Name: 5-oxo-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid; tetramethylammonium IUPAC Name: 5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid; tetramethylazanium Traditional Name: 5-keto-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-2-pyrazoline-3-carboxylic acid; tetramethylammonium Formula: C28H48N7O9S2+3 MolecularWeight: 690.85222

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H12N4O9S2.3C4H12N/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;3*1-5(2,3)4/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);3*1-4H3/q;3*+1