bis(oxidanyl)-oxidanylidene-titanium; ethane; 2-methanidylpropane; 3-oxidanylidenebutanoic acid

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; ethane; 2-methanidylpropane; 3-oxidanylidenebutanoic acid Openeye Name: dihydroxy(oxo)titanium; ethane; 2-methanidylpropane; 3-oxobutanoic acid CAS Name: dihydroxy(oxo)titanium; ethane; 2-methanidylpropane; 3-oxobutanoic acid IUPAC Name: dihydroxy(oxo)titanium; ethane; 2-methanidylpropane; 3-oxobutanoic acid Traditional Name: acetoacetic acid; dihydroxy(keto)titanium; ethane; 2-methanidylpropane Formula: C18H37O9Ti-3 MolecularWeight: 445.34798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C4H6O3.2C4H9.C2H5.2H2O.O.Ti/c2*1-3(5)2-4(6)7;2*1-4(2)3;1-2;;;;/h2*2H2,1H3,(H,6,7);2*4H,1H2,2-3H3;1H2,2H3;2*1H2;;/q;;3*-1;;;;+2/p-2