barium(2+); copper; 2-(dimethylamino)ethanol; methanol; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: barium(2+); copper; 2-(dimethylamino)ethanol; methanol; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: barium(2+); copper; 2-(dimethylamino)ethanol; methanol; 2,2,2-trifluoroacetate CAS Name: barium(2+); copper; 2-(dimethylamino)ethanol; methanol; 2,2,2-trifluoroacetate IUPAC Name: barium(2+); copper; 2-(dimethylamino)ethanol; methanol; 2,2,2-trifluoroacetate Traditional Name: barium(2+); copper; 2-(dimethylamino)ethanol; methanol; 2,2,2-trifluoroacetate Formula: C32H60Ba3Cu2F18N4O20 MolecularWeight: 1701.877858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.CO.CO.CO.CO.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Cu].[Cu].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

CN(C)CCO.CN(C)CCO.CN(C)CCO.CN(C)CCO.CO.CO.CO.CO.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Cu].[Cu].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/4C4H11NO.6C2HF3O2.4CH4O.3Ba.2Cu/c4*1-5(2)3-4-6;6*3-2(4,5)1(6)7;4*1-2;;;;;/h4*6H,3-4H2,1-2H3;6*(H,6,7);4*2H,1H3;;;;;/q;;;;;;;;;;;;;;3*+2;;/p-6