tetralithium 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoate tetrahydrate

Systemtic Name: tetralithium 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoate tetrahydrate Openeye Name: tetralithium 2,2-bis(3,5-dimethylpyrazol-1-yl)acetate tetrahydrate CAS Name: tetralithium 2,2-bis(3,5-dimethyl-1-pyrazolyl)acetate tetrahydrate IUPAC Name: tetralithium 2,2-bis(3,5-dimethylpyrazol-1-yl)acetate tetrahydrate Traditional Name: tetralithium 2,2-bis(3,5-dimethylpyrazol-1-yl)acetate tetrahydrate Formula: C48H68Li4N16O12 MolecularWeight: 1088.91752

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].[Li+].CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.O.O.O.O

Isomeric SMILES

[Li+].[Li+].[Li+].[Li+].CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.O.O.O.O

InChI

InChI=1S/4C12H16N4O2.4Li.4H2O/c4*1-7-5-9(3)15(13-7)11(12(17)18)16-10(4)6-8(2)14-16;;;;;;;;/h4*5-6,11H,1-4H3,(H,17,18);;;;;4*1H2/q;;;;4*+1;;;;/p-4