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

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; ethane; 2-methanidylpropane; 2-methylpropane; 3-oxidanylidenebutanoic acid Openeye Name: dihydroxy(oxo)titanium; ethane; isobutane; 2-methanidylpropane; 3-oxobutanoic acid CAS Name: dihydroxy(oxo)titanium; ethane; 2-methanidylpropane; 2-methylpropane; 3-oxobutanoic acid IUPAC Name: dihydroxy(oxo)titanium; ethane; 2-methanidylpropane; 2-methylpropane; 3-oxobutanoic acid Traditional Name: acetoacetic acid; dihydroxy(keto)titanium; ethane; isobutane; 2-methanidylpropane Formula: C18H39O9Ti- MolecularWeight: 447.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C4H6O3.C4H10.C4H9.C2H6.2H2O.O.Ti/c2*1-3(5)2-4(6)7;2*1-4(2)3;1-2;;;;/h2*2H2,1H3,(H,6,7);4H,1-3H3;4H,1H2,2-3H3;1-2H3;2*1H2;;/q;;;-1;;;;;+2/p-2