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

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl] octanoate Openeye Name: [4-(2,3-difluoro-4-octoxy-phenyl)phenyl] octanoate CAS Name: octanoic acid [4-(2,3-difluoro-4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-octoxyphenyl)phenyl] octanoate Traditional Name: caprylic acid [4-(2,3-difluoro-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)CCCCCCC)F)F

Isomeric SMILES

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

InChI

InChI=1S/C28H38F2O3/c1-3-5-7-9-11-13-21-32-25-20-19-24(27(29)28(25)30)22-15-17-23(18-16-22)33-26(31)14-12-10-8-6-4-2/h15-20H,3-14,21H2,1-2H3