[2,3-bis(fluoranyl)-4-pentyl-phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-pentyl-phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-pentyl-phenyl) 4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-pentylphenyl) ester IUPAC Name: (2,3-difluoro-4-pentylphenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid (4-amyl-2,3-difluoro-phenyl) ester Formula: C29H44F2O2 MolecularWeight: 462.655266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)CCCCC)F)F

InChI

InChI=1S/C29H44F2O2/c1-3-5-7-9-21-11-13-22(14-12-21)23-15-17-25(18-16-23)29(32)33-26-20-19-24(10-8-6-4-2)27(30)28(26)31/h19-23,25H,3-18H2,1-2H3