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

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; 2-ethyl-3-oxidanylidene-butanoic acid; 2-methanidylpropane; 2-methylpropane Openeye Name: dihydroxy(oxo)titanium; 2-ethyl-3-oxo-butanoic acid; isobutane; 2-methanidylpropane CAS Name: dihydroxy(oxo)titanium; 2-ethyl-3-oxobutanoic acid; 2-methanidylpropane; 2-methylpropane IUPAC Name: dihydroxy(oxo)titanium; 2-ethyl-3-oxobutanoic acid; 2-methanidylpropane; 2-methylpropane Traditional Name: dihydroxy(keto)titanium; 2-ethyl-3-keto-butyric acid; isobutane; 2-methanidylpropane Formula: C20H41O9Ti- MolecularWeight: 473.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C6H10O3.C4H10.C4H9.2H2O.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);4H,1-3H3;4H,1H2,2-3H3;2*1H2;;/q;;;-1;;;;+2/p-2