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

Systemtic Name: 3-[4-[2,4-bis(fluoranyl)phenoxy]phenyl]hept-1-yn-3-yl ethanoate Openeye Name: [1-[4-(2,4-difluorophenoxy)phenyl]-1-ethynyl-pentyl] acetate CAS Name: acetic acid 3-[4-(2,4-difluorophenoxy)phenyl]hept-1-yn-3-yl ester IUPAC Name: 3-[4-(2,4-difluorophenoxy)phenyl]hept-1-yn-3-yl acetate Traditional Name: acetic acid [1-butyl-1-[4-(2,4-difluorophenoxy)phenyl]prop-2-ynyl] ester Formula: C21H20F2O3 MolecularWeight: 358.378506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)F)F)OC(=O)C

Isomeric SMILES

CCCCC(C#C)(C1=CC=C(C=C1)OC2=C(C=C(C=C2)F)F)OC(=O)C

InChI

InChI=1S/C21H20F2O3/c1-4-6-13-21(5-2,26-15(3)24)16-7-10-18(11-8-16)25-20-12-9-17(22)14-19(20)23/h2,7-12,14H,4,6,13H2,1,3H3