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

Systemtic Name: [4-[bis(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[bis(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-2-methoxy-phenyl] ester Formula: C23H24N4O6S MolecularWeight: 484.52486

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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(NNC3=O)C)C4=C(NNC4=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC

InChI

InChI=1S/C23H24N4O6S/c1-12-5-8-16(9-6-12)34(30,31)33-17-10-7-15(11-18(17)32-4)21(19-13(2)24-26-22(19)28)20-14(3)25-27-23(20)29/h5-11,21H,1-4H3,(H2,24,26,28)(H2,25,27,29)