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

Systemtic Name: [2-[2-[2-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] 2-methyloctanoate Openeye Name: [2-[2-[2-methyl-4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl] 2-methyloctanoate CAS Name: 2-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] 2-methyloctanoate Traditional Name: 2-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:

CCCCCCC(C)C(=O)OC1=CC=CC=C1CCC2=C(C=C(C=C2)C3CCC(CC3)CCCCC)C

Isomeric SMILES

CCCCCCC(C)C(=O)OC1=CC=CC=C1CCC2=C(C=C(C=C2)C3CCC(CC3)CCCCC)C

InChI

InChI=1S/C35H52O2/c1-5-7-9-11-14-27(3)35(36)37-34-17-13-12-16-32(34)24-22-30-23-25-33(26-28(30)4)31-20-18-29(19-21-31)15-10-8-6-2/h12-13,16-17,23,25-27,29,31H,5-11,14-15,18-22,24H2,1-4H3