hexyl 1-methyl-4-[4-(4-pentylphenyl)cyclohexyl]cyclohexane-1-carboxylate

Systemtic Name: hexyl 1-methyl-4-[4-(4-pentylphenyl)cyclohexyl]cyclohexane-1-carboxylate Openeye Name: hexyl 1-methyl-4-[4-(4-pentylphenyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 1-methyl-4-[4-(4-pentylphenyl)cyclohexyl]-1-cyclohexanecarboxylic acid hexyl ester IUPAC Name: hexyl 1-methyl-4-[4-(4-pentylphenyl)cyclohexyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(4-amylphenyl)cyclohexyl]-1-methyl-cyclohexanecarboxylic acid hexyl ester Formula: C31H50O2 MolecularWeight: 454.7275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1(CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)CCCCC)C

Isomeric SMILES

CCCCCCOC(=O)C1(CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)CCCCC)C

InChI

InChI=1S/C31H50O2/c1-4-6-8-10-24-33-30(32)31(3)22-20-29(21-23-31)28-18-16-27(17-19-28)26-14-12-25(13-15-26)11-9-7-5-2/h12-15,27-29H,4-11,16-24H2,1-3H3