2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoate; tris(chloranyl)iron

Systemtic Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoate; tris(chloranyl)iron Openeye Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetate; trichloroiron CAS Name: 2,2-bis(3,5-dimethyl-1-pyrazolyl)acetate; trichloroiron IUPAC Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetate; trichloroiron Traditional Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetate; trichloroiron Formula: C12H15Cl3FeN4O2- MolecularWeight: 409.4771

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.Cl[Fe](Cl)Cl

Isomeric SMILES

CC1=CC(=NN1C(C(=O)[O-])N2C(=CC(=N2)C)C)C.Cl[Fe](Cl)Cl

InChI

InChI=1S/C12H16N4O2.3ClH.Fe/c1-7-5-9(3)15(13-7)11(12(17)18)16-10(4)6-8(2)14-16;;;;/h5-6,11H,1-4H3,(H,17,18);3*1H;/q;;;;+3/p-4