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

Systemtic Name: phenyl 4-(4-octylcyclohexen-1-yl)pentanoate Openeye Name: phenyl 4-(4-octylcyclohexen-1-yl)pentanoate CAS Name: 4-(4-octyl-1-cyclohexenyl)pentanoic acid phenyl ester IUPAC Name: phenyl 4-(4-octylcyclohexen-1-yl)pentanoate Traditional Name: 4-(4-octylcyclohexen-1-yl)valeric acid phenyl ester Formula: C25H38O2 MolecularWeight: 370.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38O2/c1-3-4-5-6-7-9-12-22-16-18-23(19-17-22)21(2)15-20-25(26)27-24-13-10-8-11-14-24/h8,10-11,13-14,18,21-22H,3-7,9,12,15-17,19-20H2,1-2H3