sodium 4-[(2,4-dimethyl-6-sulfo-phenyl)diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: sodium 4-[(2,4-dimethyl-6-sulfo-phenyl)diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: sodium 4-(2,4-dimethyl-6-sulfo-phenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: sodium 4-(2,4-dimethyl-6-sulfophenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: sodium 4-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: sodium 4-(2,4-dimethyl-6-sulfo-phenyl)azo-5-keto-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C18H16N4NaO9S2+ MolecularWeight: 519.46081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)C.[Na+]

InChI

InChI=1S/C18H16N4O9S2.Na/c1-9-7-10(2)14(13(8-9)33(29,30)31)19-20-15-16(18(24)25)21-22(17(15)23)11-3-5-12(6-4-11)32(26,27)28;/h3-8,15H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31);/q;+1