6-[2,6-bis(fluoranyl)phenyl]hex-5-ynyl ethanoate

Systemtic Name: 6-[2,6-bis(fluoranyl)phenyl]hex-5-ynyl ethanoate Openeye Name: 6-(2,6-difluorophenyl)hex-5-ynyl acetate CAS Name: acetic acid 6-(2,6-difluorophenyl)hex-5-ynyl ester IUPAC Name: 6-(2,6-difluorophenyl)hex-5-ynyl acetate Traditional Name: acetic acid 6-(2,6-difluorophenyl)hex-5-ynyl ester Formula: C14H14F2O2 MolecularWeight: 252.256566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC#CC1=C(C=CC=C1F)F

Isomeric SMILES

CC(=O)OCCCCC#CC1=C(C=CC=C1F)F

InChI

InChI=1S/C14H14F2O2/c1-11(17)18-10-5-3-2-4-7-12-13(15)8-6-9-14(12)16/h6,8-9H,2-3,5,10H2,1H3