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

Systemtic Name: guanidine; 5-oxidanylidene-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid; hydrochloride Openeye Name: guanidine; 5-oxo-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid; hydrochloride CAS Name: guanidine; 5-oxo-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-4H-pyrazole-3-carboxylic acid; hydrochloride IUPAC Name: guanidine; 5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid; hydrochloride Traditional Name: guanidine; 5-keto-1-(4-sulfophenyl)-4-(4-sulfophenyl)azo-2-pyrazoline-3-carboxylic acid; hydrochloride Formula: C17H18ClN7O9S2 MolecularWeight: 563.94932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O.C(=N)(N)N.Cl

Isomeric SMILES

C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O.C(=N)(N)N.Cl

InChI

InChI=1S/C16H12N4O9S2.CH5N3.ClH/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;2-1(3)4;/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);(H5,2,3,4);1H