[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-octylcyclohexane-1-carboxylate

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-octylcyclohexane-1-carboxylate Openeye Name: [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] 4-octylcyclohexanecarboxylate CAS Name: 4-octyl-1-cyclohexanecarboxylic acid [4-(2,3-difluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-octoxyphenyl)phenyl] 4-octylcyclohexane-1-carboxylate Traditional Name: 4-octylcyclohexanecarboxylic acid [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] ester Formula: C35H50F2O3 MolecularWeight: 556.766506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=C(C(=C(C=C3)OCCCCCCCC)F)F

InChI

InChI=1S/C35H50F2O3/c1-3-5-7-9-11-13-15-27-16-18-29(19-17-27)35(38)40-30-22-20-28(21-23-30)31-24-25-32(34(37)33(31)36)39-26-14-12-10-8-6-4-2/h20-25,27,29H,3-19,26H2,1-2H3