[2-methyl-4-[2-[3-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] octanoate

Systemtic Name: [2-methyl-4-[2-[3-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] octanoate Openeye Name: [2-methyl-4-[2-[3-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] octanoate CAS Name: octanoic acid [2-methyl-4-[2-[3-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] ester IUPAC Name: [2-methyl-4-[2-[3-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] octanoate Traditional Name: caprylic acid [4-[2-[4-(4-amylcyclohexyl)-3-methyl-phenyl]ethyl]-2-methyl-phenyl] ester Formula: C35H52O2 MolecularWeight: 504.78618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)C3CCC(CC3)CCCCC)C)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)C3CCC(CC3)CCCCC)C)C

InChI

InChI=1S/C35H52O2/c1-5-7-9-10-12-14-35(36)37-34-24-20-31(26-28(34)4)16-15-30-19-23-33(27(3)25-30)32-21-17-29(18-22-32)13-11-8-6-2/h19-20,23-26,29,32H,5-18,21-22H2,1-4H3