[4-[4-(4-octylcyclohexyl)phenyl]phenyl] pentanoate

Systemtic Name: [4-[4-(4-octylcyclohexyl)phenyl]phenyl] pentanoate Openeye Name: [4-[4-(4-octylcyclohexyl)phenyl]phenyl] pentanoate CAS Name: pentanoic acid [4-[4-(4-octylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-octylcyclohexyl)phenyl]phenyl] pentanoate Traditional Name: valeric acid [4-[4-(4-octylcyclohexyl)phenyl]phenyl] ester Formula: C31H44O2 MolecularWeight: 448.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCC

InChI

InChI=1S/C31H44O2/c1-3-5-7-8-9-10-11-25-13-15-26(16-14-25)27-17-19-28(20-18-27)29-21-23-30(24-22-29)33-31(32)12-6-4-2/h17-26H,3-16H2,1-2H3