2-(1-adamantyl)-1-(1,3-benzodioxol-5-yl)-4,4,4-tris(fluoranyl)butane-1,3-dione

Systemtic Name: 2-(1-adamantyl)-1-(1,3-benzodioxol-5-yl)-4,4,4-tris(fluoranyl)butane-1,3-dione Openeye Name: 2-(1-adamantyl)-1-(1,3-benzodioxol-5-yl)-4,4,4-trifluoro-butane-1,3-dione CAS Name: 2-(1-adamantyl)-1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione IUPAC Name: 2-(1-adamantyl)-1-(1,3-benzodioxol-5-yl)-4,4,4-trifluorobutane-1,3-dione Traditional Name: 2-(1-adamantyl)-1-(1,3-benzodioxol-5-yl)-4,4,4-trifluoro-butane-1,3-dione Formula: C21H21F3O4 MolecularWeight: 394.38425

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)C4=CC5=C(C=C4)OCO5)C(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(C(=O)C4=CC5=C(C=C4)OCO5)C(=O)C(F)(F)F

InChI

InChI=1S/C21H21F3O4/c22-21(23,24)19(26)17(18(25)14-1-2-15-16(6-14)28-10-27-15)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13,17H,3-5,7-10H2