heptyl 3-[2,5-bis(fluoranyl)phenyl]propanoate

Systemtic Name: heptyl 3-[2,5-bis(fluoranyl)phenyl]propanoate Openeye Name: heptyl 3-(2,5-difluorophenyl)propanoate CAS Name: 3-(2,5-difluorophenyl)propanoic acid heptyl ester IUPAC Name: heptyl 3-(2,5-difluorophenyl)propanoate Traditional Name: 3-(2,5-difluorophenyl)propionic acid heptyl ester Formula: C16H22F2O2 MolecularWeight: 284.341486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CCC1=C(C=CC(=C1)F)F

Isomeric SMILES

CCCCCCCOC(=O)CCC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C16H22F2O2/c1-2-3-4-5-6-11-20-16(19)10-7-13-12-14(17)8-9-15(13)18/h8-9,12H,2-7,10-11H2,1H3