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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52O2/c1-5-7-9-10-12-14-35(36)37-34-24-23-31(28(4)26-34)20-19-30-21-22-33(25-27(30)3)32-17-15-29(16-18-32)13-11-8-6-2/h21-26,29,32H,5-20H2,1-4H3