3-oxidanylidene-2,2,4-tri(propan-2-yloxy)hexanoate; titanium(2+)

Systemtic Name: 3-oxidanylidene-2,2,4-tri(propan-2-yloxy)hexanoate; titanium(2+) Openeye Name: titanium(2+); 2,2,4-triisopropoxy-3-oxo-hexanoate CAS Name: 3-oxo-2,2,4-tri(propan-2-yloxy)hexanoate; titanium(2+) IUPAC Name: 3-oxo-2,2,4-tri(propan-2-yloxy)hexanoate; titanium(2+) Traditional Name: titanium(2+); 2,2,4-triisopropoxy-3-keto-hexanoate Formula: C30H54O12Ti MolecularWeight: 654.60956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H28O6.Ti/c2*1-8-12(19-9(2)3)13(16)15(14(17)18,20-10(4)5)21-11(6)7;/h2*9-12H,8H2,1-7H3,(H,17,18);/q;;+2/p-2