heptyl 4-(4-methylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: heptyl 4-(4-methylphenyl)-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: heptyl 4-hydroxy-4-(p-tolyl)cyclohexanecarboxylate CAS Name: 4-hydroxy-4-(4-methylphenyl)-1-cyclohexanecarboxylic acid heptyl ester IUPAC Name: heptyl 4-hydroxy-4-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-hydroxy-4-(p-tolyl)cyclohexanecarboxylic acid heptyl ester Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)C)O

Isomeric SMILES

CCCCCCCOC(=O)C1CCC(CC1)(C2=CC=C(C=C2)C)O

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-16-24-20(22)18-12-14-21(23,15-13-18)19-10-8-17(2)9-11-19/h8-11,18,23H,3-7,12-16H2,1-2H3