phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)octanoate

Systemtic Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)octanoate Openeye Name: phenyl 4-[4-(1-methylhexyl)cyclohexen-1-yl]octanoate CAS Name: 4-(4-heptan-2-yl-1-cyclohexenyl)octanoic acid phenyl ester IUPAC Name: phenyl 4-(4-heptan-2-ylcyclohexen-1-yl)octanoate Traditional Name: 4-[4-(1-methylhexyl)cyclohexen-1-yl]caprylic acid phenyl ester Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)C(CCCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C27H42O2/c1-4-6-9-12-22(3)23-16-18-25(19-17-23)24(13-7-5-2)20-21-27(28)29-26-14-10-8-11-15-26/h8,10-11,14-15,18,22-24H,4-7,9,12-13,16-17,19-21H2,1-3H3