sodium 4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[3-methyl-5-oxo-4-[4-(p-tolylsulfonyloxy)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[5-keto-3-methyl-4-(4-tosyloxyphenyl)azo-2-pyrazolin-1-yl]besylate Formula: C23H19N4NaO7S2 MolecularWeight: 550.53933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C23H20N4O7S2.Na/c1-15-3-11-21(12-4-15)36(32,33)34-19-9-5-17(6-10-19)24-25-22-16(2)26-27(23(22)28)18-7-13-20(14-8-18)35(29,30)31;/h3-14,22H,1-2H3,(H,29,30,31);/q;+1/p-1