[4-[4-(4-butylcyclohexen-1-yl)phenyl]phenyl] nonanoate

Systemtic Name: [4-[4-(4-butylcyclohexen-1-yl)phenyl]phenyl] nonanoate Openeye Name: [4-[4-(4-butylcyclohexen-1-yl)phenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[4-(4-butyl-1-cyclohexenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-butylcyclohexen-1-yl)phenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[4-(4-butylcyclohexen-1-yl)phenyl]phenyl] ester Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CCC(CC3)CCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CCC(CC3)CCCC

InChI

InChI=1S/C31H42O2/c1-3-5-7-8-9-10-12-31(32)33-30-23-21-29(22-24-30)28-19-17-27(18-20-28)26-15-13-25(14-16-26)11-6-4-2/h15,17-25H,3-14,16H2,1-2H3