3-oxidanylidenebutanoic acid; propan-1-olate; titanium(2+)

Systemtic Name: 3-oxidanylidenebutanoic acid; propan-1-olate; titanium(2+) Openeye Name: 3-oxobutanoic acid; propan-1-olate; titanium(2+) CAS Name: 3-oxobutanoic acid; 1-propanolate; titanium(2+) IUPAC Name: 3-oxobutanoic acid; propan-1-olate; titanium(2+) Traditional Name: acetoacetic acid; propan-1-olate; titanium(2+) Formula: C14H26O8Ti MolecularWeight: 370.21844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[O-].CCC[O-].CC(=O)CC(=O)O.CC(=O)CC(=O)O.[Ti+2]

Isomeric SMILES

CCC[O-].CCC[O-].CC(=O)CC(=O)O.CC(=O)CC(=O)O.[Ti+2]

InChI

InChI=1S/2C4H6O3.2C3H7O.Ti/c2*1-3(5)2-4(6)7;2*1-2-3-4;/h2*2H2,1H3,(H,6,7);2*2-3H2,1H3;/q;;2*-1;+2