gadolinium; 4,4,4-tris(fluoranyl)-1-thiophen-2-yl-butane-1,3-dione

Systemtic Name: gadolinium; 4,4,4-tris(fluoranyl)-1-thiophen-2-yl-butane-1,3-dione Openeye Name: gadolinium; 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione CAS Name: gadolinium; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione IUPAC Name: gadolinium; 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione Traditional Name: gadolinium; 4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione Formula: C24H15F9GdO6S3 MolecularWeight: 823.802929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.[Gd]

Isomeric SMILES

C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F.[Gd]

InChI

InChI=1S/3C8H5F3O2S.Gd/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-3H,4H2;