4-[dioxidanyl-[4-(4-methylphenyl)phenyl]methyl]-1-methyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[dioxidanyl-[4-(4-methylphenyl)phenyl]methyl]-1-methyl-cyclohexane-1-carbonitrile Openeye Name: 4-[hydroperoxy-[4-(p-tolyl)phenyl]methyl]-1-methyl-cyclohexanecarbonitrile CAS Name: 4-[hydroperoxy-[4-(4-methylphenyl)phenyl]methyl]-1-methyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[hydroperoxy-[4-(4-methylphenyl)phenyl]methyl]-1-methylcyclohexane-1-carbonitrile Traditional Name: 4-[hydroperoxy-[4-(p-tolyl)phenyl]methyl]-1-methyl-cyclohexanecarbonitrile Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(C3CCC(CC3)(C)C#N)OO

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(C3CCC(CC3)(C)C#N)OO

InChI

InChI=1S/C22H25NO2/c1-16-3-5-17(6-4-16)18-7-9-19(10-8-18)21(25-24)20-11-13-22(2,15-23)14-12-20/h3-10,20-21,24H,11-14H2,1-2H3