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

Systemtic Name: 2-(1-adamantyl)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-1-olate Openeye Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-oxo-1-(2-thienyl)but-1-en-1-olate CAS Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-oxo-1-thiophen-2-yl-1-buten-1-olate IUPAC Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate Traditional Name: 2-(1-adamantyl)-4,4,4-trifluoro-3-keto-1-(2-thienyl)but-1-en-1-olate Formula: C18H18F3O2S- MolecularWeight: 355.39453

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=C(C4=CC=CS4)[O-])C(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=C(C4=CC=CS4)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C18H19F3O2S/c19-18(20,21)16(23)14(15(22)13-2-1-3-24-13)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,22H,4-9H2/p-1