3-(1-adamantyl)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-thiophen-2-yl-but-3-en-2-one

Systemtic Name: 3-(1-adamantyl)-1,1,1-tris(fluoranyl)-4-oxidanyl-4-thiophen-2-yl-but-3-en-2-one Openeye Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-(2-thienyl)but-3-en-2-one CAS Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-yl-3-buten-2-one IUPAC Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one Traditional Name: 3-(1-adamantyl)-1,1,1-trifluoro-4-hydroxy-4-(2-thienyl)but-3-en-2-one Formula: C18H19F3O2S MolecularWeight: 356.40247

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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