[2,3-bis(fluoranyl)-4-(4-pentylphenyl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-(4-pentylphenyl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [2,3-difluoro-4-(4-pentylphenyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [2,3-difluoro-4-(4-pentylphenyl)phenyl] ester IUPAC Name: [2,3-difluoro-4-(4-pentylphenyl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(4-amylphenyl)-2,3-difluoro-phenyl] ester Formula: C29H38F2O2 MolecularWeight: 456.607626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)F)F

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C3=CC=C(C=C3)CCCCC)F)F

InChI

InChI=1S/C29H38F2O2/c1-3-5-7-9-21-11-15-23(16-12-21)25-19-20-26(28(31)27(25)30)33-29(32)24-17-13-22(14-18-24)10-8-6-4-2/h11-12,15-16,19-20,22,24H,3-10,13-14,17-18H2,1-2H3