[2-(hydroxymethyl)-2-methyl-3-[(4-methylphenyl)methylperoxy]propyl] 4-methylcyclohex-2-ene-1-carboxylate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-[(4-methylphenyl)methylperoxy]propyl] 4-methylcyclohex-2-ene-1-carboxylate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-(p-tolylmethylperoxy)propyl] 4-methylcyclohex-2-ene-1-carboxylate CAS Name: 4-methyl-1-cyclohex-2-enecarboxylic acid [2-(hydroxymethyl)-2-methyl-3-[(4-methylphenyl)methyldioxy]propyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-[(4-methylphenyl)methylperoxy]propyl] 4-methylcyclohex-2-ene-1-carboxylate Traditional Name: 4-methylcyclohex-2-ene-1-carboxylic acid [3-hydroxy-2-methyl-2-[(4-methylbenzyl)peroxymethyl]propyl] ester Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C=C1)C(=O)OCC(C)(CO)COOCC2=CC=C(C=C2)C

Isomeric SMILES

CC1CCC(C=C1)C(=O)OCC(C)(CO)COOCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H30O5/c1-16-4-8-18(9-5-16)12-25-26-15-21(3,13-22)14-24-20(23)19-10-6-17(2)7-11-19/h4-6,8-10,17,19,22H,7,11-15H2,1-3H3