3-[4-[2,4-bis(fluoranyl)phenyl]phenyl]hex-1-yn-3-yl ethanoate

Systemtic Name: 3-[4-[2,4-bis(fluoranyl)phenyl]phenyl]hex-1-yn-3-yl ethanoate Openeye Name: [1-[4-(2,4-difluorophenyl)phenyl]-1-ethynyl-butyl] acetate CAS Name: acetic acid 3-[4-(2,4-difluorophenyl)phenyl]hex-1-yn-3-yl ester IUPAC Name: 3-[4-(2,4-difluorophenyl)phenyl]hex-1-yn-3-yl acetate Traditional Name: acetic acid [1-[4-(2,4-difluorophenyl)phenyl]-1-propyl-prop-2-ynyl] ester Formula: C20H18F2O2 MolecularWeight: 328.352526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F2O2/c1-4-12-20(5-2,24-14(3)23)16-8-6-15(7-9-16)18-11-10-17(21)13-19(18)22/h2,6-11,13H,4,12H2,1,3H3