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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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