[4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[bis(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[bis(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C35H32N4O6S MolecularWeight: 636.71678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C)OC

InChI

InChI=1S/C35H32N4O6S/c1-22-15-18-28(19-16-22)46(42,43)45-29-20-17-25(21-30(29)44-4)33(31-23(2)36-38(34(31)40)26-11-7-5-8-12-26)32-24(3)37-39(35(32)41)27-13-9-6-10-14-27/h5-21,33,36-37H,1-4H3