phenyl 4-(4-methylcyclohexen-1-yl)octanoate

Systemtic Name: phenyl 4-(4-methylcyclohexen-1-yl)octanoate Openeye Name: phenyl 4-(4-methylcyclohexen-1-yl)octanoate CAS Name: 4-(4-methyl-1-cyclohexenyl)octanoic acid phenyl ester IUPAC Name: phenyl 4-(4-methylcyclohexen-1-yl)octanoate Traditional Name: 4-(4-methylcyclohexen-1-yl)caprylic acid phenyl ester Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)OC1=CC=CC=C1)C2=CCC(CC2)C

Isomeric SMILES

CCCCC(CCC(=O)OC1=CC=CC=C1)C2=CCC(CC2)C

InChI

InChI=1S/C21H30O2/c1-3-4-8-18(19-13-11-17(2)12-14-19)15-16-21(22)23-20-9-6-5-7-10-20/h5-7,9-10,13,17-18H,3-4,8,11-12,14-16H2,1-2H3