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

Systemtic Name: 4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[3-methyl-5-oxo-4-[4-(p-tolylsulfonyloxy)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-3-methyl-4-(4-tosyloxyphenyl)azo-2-pyrazolin-1-yl]besylic acid Formula: C23H20N4O7S2 MolecularWeight: 528.5575

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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

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

InChI

InChI=1S/C23H20N4O7S2/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)