(4-butylcyclohexyl) 4-(2-methyl-4-propyl-cyclohexyl)benzoate

Systemtic Name: (4-butylcyclohexyl) 4-(2-methyl-4-propyl-cyclohexyl)benzoate Openeye Name: (4-butylcyclohexyl) 4-(2-methyl-4-propyl-cyclohexyl)benzoate CAS Name: 4-(2-methyl-4-propylcyclohexyl)benzoic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 4-(2-methyl-4-propylcyclohexyl)benzoate Traditional Name: 4-(2-methyl-4-propyl-cyclohexyl)benzoic acid (4-butylcyclohexyl) ester Formula: C27H42O2 MolecularWeight: 398.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3C)CCC

Isomeric SMILES

CCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3C)CCC

InChI

InChI=1S/C27H42O2/c1-4-6-8-21-9-16-25(17-10-21)29-27(28)24-14-12-23(13-15-24)26-18-11-22(7-5-2)19-20(26)3/h12-15,20-22,25-26H,4-11,16-19H2,1-3H3