[2-methyl-4-[(4-pentylcyclohexyl)methoxy]phenyl] octanoate

Systemtic Name: [2-methyl-4-[(4-pentylcyclohexyl)methoxy]phenyl] octanoate Openeye Name: [2-methyl-4-[(4-pentylcyclohexyl)methoxy]phenyl] octanoate CAS Name: octanoic acid [2-methyl-4-[(4-pentylcyclohexyl)methoxy]phenyl] ester IUPAC Name: [2-methyl-4-[(4-pentylcyclohexyl)methoxy]phenyl] octanoate Traditional Name: caprylic acid [4-[(4-amylcyclohexyl)methoxy]-2-methyl-phenyl] ester Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1)OCC2CCC(CC2)CCCCC)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1)OCC2CCC(CC2)CCCCC)C

InChI

InChI=1S/C27H44O3/c1-4-6-8-9-11-13-27(28)30-26-19-18-25(20-22(26)3)29-21-24-16-14-23(15-17-24)12-10-7-5-2/h18-20,23-24H,4-17,21H2,1-3H3