hexyl 2-(6-ethynylnaphthalen-2-yl)-3,3-bis(fluoranyl)propanoate

Systemtic Name: hexyl 2-(6-ethynylnaphthalen-2-yl)-3,3-bis(fluoranyl)propanoate Openeye Name: hexyl 2-(6-ethynyl-2-naphthyl)-3,3-difluoro-propanoate CAS Name: 2-(6-ethynyl-2-naphthalenyl)-3,3-difluoropropanoic acid hexyl ester IUPAC Name: hexyl 2-(6-ethynylnaphthalen-2-yl)-3,3-difluoropropanoate Traditional Name: 2-(6-ethynyl-2-naphthyl)-3,3-difluoro-propionic acid hexyl ester Formula: C21H22F2O2 MolecularWeight: 344.394986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C#C)C(F)F

Isomeric SMILES

CCCCCCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)C#C)C(F)F

InChI

InChI=1S/C21H22F2O2/c1-3-5-6-7-12-25-21(24)19(20(22)23)18-11-10-16-13-15(4-2)8-9-17(16)14-18/h2,8-11,13-14,19-20H,3,5-7,12H2,1H3