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

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-(2,3-difluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-octoxyphenyl)phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] ester Formula: C34H48F2O3 MolecularWeight: 542.739926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCCC)F)F

InChI

InChI=1S/C34H48F2O3/c1-3-5-7-9-11-13-25-38-31-24-23-30(32(35)33(31)36)27-19-21-29(22-20-27)39-34(37)28-17-15-26(16-18-28)14-12-10-8-6-4-2/h19-24,26,28H,3-18,25H2,1-2H3