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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)CCC3=CC=CC=C3OC(=O)CC(C)CCCCC)C

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)CCC3=CC=CC=C3OC(=O)CC(C)CCCCC)C

InChI

InChI=1S/C35H52O2/c1-5-7-9-13-27(3)25-35(36)37-34-16-12-11-15-32(34)23-21-30-22-24-33(26-28(30)4)31-19-17-29(18-20-31)14-10-8-6-2/h11-12,15-16,22,24,26-27,29,31H,5-10,13-14,17-21,23,25H2,1-4H3