(4-heptylcyclohexyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate

Systemtic Name: (4-heptylcyclohexyl) 4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]benzoate Openeye Name: (4-heptylcyclohexyl) 4-(2,3-difluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2,3-difluoro-4-octoxyphenyl)benzoic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-(2,3-difluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2,3-difluoro-4-octoxy-phenyl)benzoic acid (4-heptylcyclohexyl) 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)C(=O)OC3CCC(CC3)CCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCC(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)27-17-19-28(20-18-27)34(37)39-29-21-15-26(16-22-29)14-12-10-8-6-4-2/h17-20,23-24,26,29H,3-16,21-22,25H2,1-2H3