(4-cyano-4-heptyl-cyclohexyl) 4-(4-hexylcyclohexyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-hexylcyclohexyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(4-hexylcyclohexyl)benzoate CAS Name: 4-(4-hexylcyclohexyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(4-hexylcyclohexyl)benzoate Traditional Name: 4-(4-hexylcyclohexyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C33H51NO2 MolecularWeight: 493.76354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCCCC)C#N

InChI

InChI=1S/C33H51NO2/c1-3-5-7-9-11-23-33(26-34)24-21-31(22-25-33)36-32(35)30-19-17-29(18-20-30)28-15-13-27(14-16-28)12-10-8-6-4-2/h17-20,27-28,31H,3-16,21-25H2,1-2H3