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

Systemtic Name: 4-ethyl-3-oxidanylidene-4-propan-2-yloxy-hexanoate; titanium(2+) Openeye Name: 4-ethyl-4-isopropoxy-3-oxo-hexanoate; titanium(2+) CAS Name: 4-ethyl-3-oxo-4-propan-2-yloxyhexanoate; titanium(2+) IUPAC Name: 4-ethyl-3-oxo-4-propan-2-yloxyhexanoate; titanium(2+) Traditional Name: 4-ethyl-4-isopropoxy-3-keto-hexanoate; titanium(2+) Formula: C22H38O8Ti MolecularWeight: 478.39932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H20O4.Ti/c2*1-5-11(6-2,15-8(3)4)9(12)7-10(13)14;/h2*8H,5-7H2,1-4H3,(H,13,14);/q;;+2/p-2