[4-(4-octylcyclohexyl)cyclohexyl] 3-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-fluoro-4-octoxy-benzoate CAS Name: 3-fluoro-4-octoxybenzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-octylcyclohexyl)cyclohexyl] 3-fluoro-4-octoxybenzoate Traditional Name: 3-fluoro-4-octoxy-benzoic acid [4-(4-octylcyclohexyl)cyclohexyl] ester Formula: C35H57FO3 MolecularWeight: 544.823683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC(=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C35H57FO3/c1-3-5-7-9-11-13-15-28-16-18-29(19-17-28)30-20-23-32(24-21-30)39-35(37)31-22-25-34(33(36)27-31)38-26-14-12-10-8-6-4-2/h22,25,27-30,32H,3-21,23-24,26H2,1-2H3