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

Systemtic Name: [4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] octanoate Openeye Name: [4-[4-[4-(1-methylhexyl)cyclohexen-1-yl]phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-(4-heptan-2-yl-1-cyclohexenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-[4-(1-methylhexyl)cyclohexen-1-yl]phenyl]phenyl] ester Formula: C33H46O2 MolecularWeight: 474.71714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CCC(CC3)C(C)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CCC(CC3)C(C)CCCCC

InChI

InChI=1S/C33H46O2/c1-4-6-8-9-11-13-33(34)35-32-24-22-31(23-25-32)30-20-18-29(19-21-30)28-16-14-27(15-17-28)26(3)12-10-7-5-2/h16,18-27H,4-15,17H2,1-3H3