2-ethanoyl-3-oxidanylidene-butanoic acid; 2-methylpropan-1-ol; titanium

Systemtic Name: 2-ethanoyl-3-oxidanylidene-butanoic acid; 2-methylpropan-1-ol; titanium Openeye Name: 2-acetyl-3-oxo-butanoic acid; 2-methylpropan-1-ol; titanium CAS Name: 2-acetyl-3-oxobutanoic acid; 2-methyl-1-propanol; titanium IUPAC Name: 2-acetyl-3-oxobutanoic acid; 2-methylpropan-1-ol; titanium Traditional Name: 2-acetyl-3-keto-butyric acid; 2-methylpropan-1-ol; titanium Formula: C14H28O6Ti MolecularWeight: 340.23552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CO.CC(C)CO.CC(=O)C(C(=O)C)C(=O)O.[Ti]

Isomeric SMILES

CC(C)CO.CC(C)CO.CC(=O)C(C(=O)C)C(=O)O.[Ti]

InChI

InChI=1S/C6H8O4.2C4H10O.Ti/c1-3(7)5(4(2)8)6(9)10;2*1-4(2)3-5;/h5H,1-2H3,(H,9,10);2*4-5H,3H2,1-2H3;