4-[2-(dioxidanyl)-2,2-diphenyl-ethyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazole

Systemtic Name: 4-[2-(dioxidanyl)-2,2-diphenyl-ethyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazole Openeye Name: 4-(2-hydroperoxy-2,2-diphenyl-ethyl)-3,5-dimethyl-1-(p-tolylsulfonyl)pyrazole CAS Name: 4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole IUPAC Name: 4-(2-hydroperoxy-2,2-diphenylethyl)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole Traditional Name: 4-(2-hydroperoxy-2,2-diphenyl-ethyl)-3,5-dimethyl-1-tosyl-pyrazole Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)OO)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)CC(C3=CC=CC=C3)(C4=CC=CC=C4)OO)C

InChI

InChI=1S/C26H26N2O4S/c1-19-14-16-24(17-15-19)33(30,31)28-21(3)25(20(2)27-28)18-26(32-29,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,29H,18H2,1-3H3