[4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-fluoranylheptanoate

Systemtic Name: [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-fluoranylheptanoate Openeye Name: [4-(3-fluoro-4-octoxy-phenyl)phenyl] 3-fluoroheptanoate CAS Name: 3-fluoroheptanoic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octoxyphenyl)phenyl] 3-fluoroheptanoate Traditional Name: 3-fluoroenanthic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C27H36F2O3 MolecularWeight: 446.569746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(CCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(CCCC)F)F

InChI

InChI=1S/C27H36F2O3/c1-3-5-7-8-9-10-18-31-26-17-14-22(19-25(26)29)21-12-15-24(16-13-21)32-27(30)20-23(28)11-6-4-2/h12-17,19,23H,3-11,18,20H2,1-2H3