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

Systemtic Name: 3-methyl-4-[3-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]pyrazol-1-yl]-5-oxidanyl-benzenesulfonic acid Openeye Name: 3-hydroxy-5-methyl-4-[3-[4-(p-tolylsulfonyloxy)phenyl]azopyrazol-1-yl]benzenesulfonic acid CAS Name: 3-hydroxy-5-methyl-4-[3-[4-(4-methylphenyl)sulfonyloxyphenyl]azo-1-pyrazolyl]benzenesulfonic acid IUPAC Name: 3-hydroxy-5-methyl-4-[3-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]pyrazol-1-yl]benzenesulfonic acid Traditional Name: 3-hydroxy-5-methyl-4-[3-(4-tosyloxyphenyl)azopyrazol-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=NC3=NN(C=C3)C4=C(C=C(C=C4C)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=NN(C=C3)C4=C(C=C(C=C4C)S(=O)(=O)O)O

InChI

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