3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl ethanoate

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl ethanoate Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl acetate CAS Name: acetic acid 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl acetate Traditional Name: acetic acid 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl ester Formula: C13H8F6O2 MolecularWeight: 310.191839

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)OCC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H8F6O2/c1-8(20)21-4-2-3-9-5-10(12(14,15)16)7-11(6-9)13(17,18)19/h5-7H,4H2,1H3