4-[(4-methylphenyl)diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-2-ium-3-carboxylic acid

Systemtic Name: 4-[(4-methylphenyl)diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-2-ium-3-carboxylic acid Openeye Name: 5-oxo-4-(p-tolylazo)-1-(4-sulfophenyl)-4H-pyrazol-2-ium-3-carboxylic acid CAS Name: 4-(4-methylphenyl)azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-2-ium-3-carboxylic acid IUPAC Name: 4-[(4-methylphenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-2-ium-3-carboxylic acid Traditional Name: 5-keto-4-(p-tolylazo)-1-(4-sulfophenyl)-2-pyrazolin-2-ium-3-carboxylic acid Formula: C17H15N4O6S+ MolecularWeight: 403.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O6S/c1-10-2-4-11(5-3-10)18-19-14-15(17(23)24)20-21(16(14)22)12-6-8-13(9-7-12)28(25,26)27/h2-9,14H,1H3,(H,23,24)(H,25,26,27)/p+1