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

Systemtic Name: [2,3-bis(fluoranyl)-4-pentyl-phenyl] 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-pentyl-phenyl) 4-(4-butylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-butylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-pentylphenyl) ester IUPAC Name: (2,3-difluoro-4-pentylphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylcyclohexyl)cyclohexanecarboxylic acid (4-amyl-2,3-difluoro-phenyl) ester Formula: C28H42F2O2 MolecularWeight: 448.628686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCCC)F)F

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCCC)F)F

InChI

InChI=1S/C28H42F2O2/c1-3-5-7-9-23-18-19-25(27(30)26(23)29)32-28(31)24-16-14-22(15-17-24)21-12-10-20(11-13-21)8-6-4-2/h18-22,24H,3-17H2,1-2H3