2-(1-adamantyl)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-but-1-en-1-olate

Systemtic Name: 2-(1-adamantyl)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-but-1-en-1-olate Openeye Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-oxo-1-phenyl-but-1-en-1-olate CAS Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-oxo-1-phenyl-1-buten-1-olate IUPAC Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate Traditional Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-keto-1-phenyl-but-1-en-1-olate Formula: C20H20F3O2- MolecularWeight: 349.36681

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=C(C4=CC=CC=C4)[O-])C(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=C(C4=CC=CC=C4)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C20H21F3O2/c21-20(22,23)18(25)16(17(24)15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14,24H,6-11H2/p-1