phenyl 4-(4-octylcyclohexen-1-yl)heptanoate

Systemtic Name: phenyl 4-(4-octylcyclohexen-1-yl)heptanoate Openeye Name: phenyl 4-(4-octylcyclohexen-1-yl)heptanoate CAS Name: 4-(4-octyl-1-cyclohexenyl)heptanoic acid phenyl ester IUPAC Name: phenyl 4-(4-octylcyclohexen-1-yl)heptanoate Traditional Name: 4-(4-octylcyclohexen-1-yl)enanthic acid phenyl ester Formula: C27H42O2 MolecularWeight: 398.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(=CC1)C(CCC)CCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1CCC(=CC1)C(CCC)CCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C27H42O2/c1-3-5-6-7-8-10-14-23-17-19-25(20-18-23)24(13-4-2)21-22-27(28)29-26-15-11-9-12-16-26/h9,11-12,15-16,19,23-24H,3-8,10,13-14,17-18,20-22H2,1-2H3