5-chloranyl-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 5-chloranyl-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 5-chloro-2-[3-methyl-5-oxo-4-[4-(p-tolylsulfonyloxy)phenyl]azo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 5-chloro-2-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 5-chloro-2-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 5-chloro-2-[5-keto-3-methyl-4-(4-tosyloxyphenyl)azo-2-pyrazolin-1-yl]besylic acid Formula: C23H19ClN4O7S2 MolecularWeight: 563.00256

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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=C(C=C(C=C4)Cl)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=C(C=C(C=C4)Cl)S(=O)(=O)O)C

InChI

InChI=1S/C23H19ClN4O7S2/c1-14-3-10-19(11-4-14)37(33,34)35-18-8-6-17(7-9-18)25-26-22-15(2)27-28(23(22)29)20-12-5-16(24)13-21(20)36(30,31)32/h3-13,22H,1-2H3,(H,30,31,32)