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

Systemtic Name: [2-methyl-4-[3-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate Openeye Name: [2-methyl-4-[3-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate CAS Name: octanoic acid [2-methyl-4-[3-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] ester IUPAC Name: [2-methyl-4-[3-methyl-4-(4-pentylcyclohexyl)phenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-(4-amylcyclohexyl)-3-methyl-phenyl]-2-methyl-phenyl] ester Formula: C33H48O2 MolecularWeight: 476.73302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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