(4-pentylphenyl) 4-(4-butylcyclohexyl)-2,3-bis(fluoranyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(4-butylcyclohexyl)-2,3-bis(fluoranyl)benzoate Openeye Name: (4-pentylphenyl) 4-(4-butylcyclohexyl)-2,3-difluoro-benzoate CAS Name: 4-(4-butylcyclohexyl)-2,3-difluorobenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(4-butylcyclohexyl)-2,3-difluorobenzoate Traditional Name: 4-(4-butylcyclohexyl)-2,3-difluoro-benzoic acid (4-amylphenyl) ester Formula: C28H36F2O2 MolecularWeight: 442.581046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3CCC(CC3)CCCC)F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3CCC(CC3)CCCC)F)F

InChI

InChI=1S/C28H36F2O2/c1-3-5-7-9-21-12-16-23(17-13-21)32-28(31)25-19-18-24(26(29)27(25)30)22-14-10-20(11-15-22)8-6-4-2/h12-13,16-20,22H,3-11,14-15H2,1-2H3