ethyl 3-oxidanylidenebutanoate; propan-2-ol; titanium(4+)

Systemtic Name: ethyl 3-oxidanylidenebutanoate; propan-2-ol; titanium(4+) Openeye Name: ethyl 3-oxobutanoate; propan-2-ol; titanium(4+) CAS Name: 3-oxobutanoic acid ethyl ester; 2-propanol; titanium(4+) IUPAC Name: ethyl 3-oxobutanoate; propan-2-ol; titanium(4+) Traditional Name: 3-ketobutyric acid ethyl ester; propan-2-ol; titanium(4+) Formula: C18H36O8Ti+4 MolecularWeight: 428.34064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CC(C)O.CC(C)O.[Ti+4]

Isomeric SMILES

CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)C.CC(C)O.CC(C)O.[Ti+4]

InChI

InChI=1S/2C6H10O3.2C3H8O.Ti/c2*1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h2*3-4H2,1-2H3;2*3-4H,1-2H3;/q;;;;+4