[4-[4-(4-heptylcyclohexyl)phenyl]phenyl] octanoate

Systemtic Name: [4-[4-(4-heptylcyclohexyl)phenyl]phenyl] octanoate Openeye Name: [4-[4-(4-heptylcyclohexyl)phenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-(4-heptylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-heptylcyclohexyl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-heptylcyclohexyl)phenyl]phenyl] ester Formula: C33H48O2 MolecularWeight: 476.73302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCC

InChI

InChI=1S/C33H48O2/c1-3-5-7-9-11-13-27-15-17-28(18-16-27)29-19-21-30(22-20-29)31-23-25-32(26-24-31)35-33(34)14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3