2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoic acid; tris(chloranyl)titanium

Systemtic Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)ethanoic acid; tris(chloranyl)titanium Openeye Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid; trichlorotitanium CAS Name: 2,2-bis(3,5-dimethyl-1-pyrazolyl)acetic acid; trichlorotitanium IUPAC Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid; trichlorotitanium Traditional Name: 2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid; trichlorotitanium Formula: C12H16Cl3N4O2Ti MolecularWeight: 402.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2.3ClH.Ti/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-3