[4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]phenyl] pentanoate

Systemtic Name: [4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]phenyl] pentanoate Openeye Name: [4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]phenyl] pentanoate CAS Name: pentanoic acid [4-[4-[4-(2-methylbutyl)-1-cyclohexenyl]phenyl]phenyl] ester IUPAC Name: [4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]phenyl] pentanoate Traditional Name: valeric acid [4-[4-[4-(2-methylbutyl)cyclohexen-1-yl]phenyl]phenyl] ester Formula: C28H36O2 MolecularWeight: 404.58424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36O2/c1-4-6-7-28(29)30-27-18-16-26(17-19-27)25-14-12-24(13-15-25)23-10-8-22(9-11-23)20-21(3)5-2/h10,12-19,21-22H,4-9,11,20H2,1-3H3