[3-methyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] octanoate

Systemtic Name: [3-methyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] octanoate Openeye Name: [3-methyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] octanoate CAS Name: octanoic acid [3-methyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [3-methyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] octanoate Traditional Name: caprylic acid [4-[2-(4-amylcyclohexyl)ethyl]-3-methyl-phenyl] ester Formula: C28H46O2 MolecularWeight: 414.66364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC(=C(C=C1)CCC2CCC(CC2)CCCCC)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC(=C(C=C1)CCC2CCC(CC2)CCCCC)C

InChI

InChI=1S/C28H46O2/c1-4-6-8-9-11-13-28(29)30-27-21-20-26(23(3)22-27)19-18-25-16-14-24(15-17-25)12-10-7-5-2/h20-22,24-25H,4-19H2,1-3H3