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

Systemtic Name: [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-fluoranyloctanoate Openeye Name: [4-(3-fluoro-4-octoxy-phenyl)phenyl] 3-fluorooctanoate CAS Name: 3-fluorooctanoic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(3-fluoro-4-octoxyphenyl)phenyl] 3-fluorooctanoate Traditional Name: 3-fluorocaprylic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C28H38F2O3 MolecularWeight: 460.596326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38F2O3/c1-3-5-7-8-9-11-19-32-27-18-15-23(20-26(27)30)22-13-16-25(17-14-22)33-28(31)21-24(29)12-10-6-4-2/h13-18,20,24H,3-12,19,21H2,1-2H3