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

Systemtic Name: [2,3-bis(fluoranyl)phenyl] 2-ethyl-4-pentyl-4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluorophenyl) 2-ethyl-4-pentyl-4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 2-ethyl-4-pentyl-4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluorophenyl) ester IUPAC Name: (2,3-difluorophenyl) 2-ethyl-4-pentyl-4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(4-amylcyclohexyl)-2-ethyl-cyclohexanecarboxylic acid (2,3-difluorophenyl) ester Formula: C31H48F2O2 MolecularWeight: 490.708426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2(CCC(C(C2)CC)C(=O)OC3=C(C(=CC=C3)F)F)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2(CCC(C(C2)CC)C(=O)OC3=C(C(=CC=C3)F)F)CCCCC

InChI

InChI=1S/C31H48F2O2/c1-4-7-9-12-23-15-17-25(18-16-23)31(20-10-8-5-2)21-19-26(24(6-3)22-31)30(34)35-28-14-11-13-27(32)29(28)33/h11,13-14,23-26H,4-10,12,15-22H2,1-3H3