sodium 4-[4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-(2,5-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-(2,5-dimethylphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[4-[(2,5-dimethylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-(2,5-dimethylphenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C18H17N4NaO4S MolecularWeight: 408.40675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S.Na/c1-11-4-5-12(2)16(10-11)19-20-17-13(3)21-22(18(17)23)14-6-8-15(9-7-14)27(24,25)26;/h4-10,17H,1-3H3,(H,24,25,26);/q;+1/p-1