bis(oxidanyl)-oxidanylidene-titanium; 2-ethyl-3-oxidanylidene-butanoic acid; 2-methanidylpropane

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; 2-ethyl-3-oxidanylidene-butanoic acid; 2-methanidylpropane Openeye Name: dihydroxy(oxo)titanium; 2-ethyl-3-oxo-butanoic acid; 2-methanidylpropane CAS Name: dihydroxy(oxo)titanium; 2-ethyl-3-oxobutanoic acid; 2-methanidylpropane IUPAC Name: dihydroxy(oxo)titanium; 2-ethyl-3-oxobutanoic acid; 2-methanidylpropane Traditional Name: dihydroxy(keto)titanium; 2-ethyl-3-keto-butyric acid; 2-methanidylpropane Formula: C20H40O9Ti-2 MolecularWeight: 472.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)C(=O)O.CCC(C(=O)C)C(=O)O.CC(C)[CH2-].CC(C)[CH2-].O[Ti](=O)O

Isomeric SMILES

CCC(C(=O)C)C(=O)O.CCC(C(=O)C)C(=O)O.CC(C)[CH2-].CC(C)[CH2-].O[Ti](=O)O

InChI

InChI=1S/2C6H10O3.2C4H9.2H2O.O.Ti/c2*1-3-5(4(2)7)6(8)9;2*1-4(2)3;;;;/h2*5H,3H2,1-2H3,(H,8,9);2*4H,1H2,2-3H3;2*1H2;;/q;;2*-1;;;;+2/p-2