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

Systemtic Name: phenyl 4-(4-octylcyclohexen-1-yl)hexanoate Openeye Name: phenyl 4-(4-octylcyclohexen-1-yl)hexanoate CAS Name: 4-(4-octyl-1-cyclohexenyl)hexanoic acid phenyl ester IUPAC Name: phenyl 4-(4-octylcyclohexen-1-yl)hexanoate Traditional Name: 4-(4-octylcyclohexen-1-yl)hexanoic acid phenyl ester Formula: C26H40O2 MolecularWeight: 384.5946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O2/c1-3-5-6-7-8-10-13-22-16-18-24(19-17-22)23(4-2)20-21-26(27)28-25-14-11-9-12-15-25/h9,11-12,14-15,18,22-23H,3-8,10,13,16-17,19-21H2,1-2H3