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

Systemtic Name: [4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] butanoate Openeye Name: [4-[4-[4-(1-methylhexyl)cyclohexen-1-yl]phenyl]phenyl] butanoate CAS Name: butanoic acid [4-[4-(4-heptan-2-yl-1-cyclohexenyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-heptan-2-ylcyclohexen-1-yl)phenyl]phenyl] butanoate Traditional Name: butyric acid [4-[4-[4-(1-methylhexyl)cyclohexen-1-yl]phenyl]phenyl] ester Formula: C29H38O2 MolecularWeight: 418.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCC

Isomeric SMILES

CCCCCC(C)C1CCC(=CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCC

InChI

InChI=1S/C29H38O2/c1-4-6-7-9-22(3)23-10-12-24(13-11-23)25-14-16-26(17-15-25)27-18-20-28(21-19-27)31-29(30)8-5-2/h12,14-23H,4-11,13H2,1-3H3