2,2-diethyl-3-oxidanylidene-4,4-di(propan-2-yloxy)butanoate; titanium(4+)

Systemtic Name: 2,2-diethyl-3-oxidanylidene-4,4-di(propan-2-yloxy)butanoate; titanium(4+) Openeye Name: 2,2-diethyl-4,4-diisopropoxy-3-oxo-butanoate; titanium(4+) CAS Name: 2,2-diethyl-3-oxo-4,4-di(propan-2-yloxy)butanoate; titanium(4+) IUPAC Name: 2,2-diethyl-3-oxo-4,4-di(propan-2-yloxy)butanoate; titanium(4+) Traditional Name: 2,2-diethyl-4,4-diisopropoxy-3-keto-butyrate; titanium(4+) Formula: C56H100O20Ti MolecularWeight: 1141.2482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].CCC(CC)(C(=O)C(OC(C)C)OC(C)C)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C14H26O5.Ti/c4*1-7-14(8-2,13(16)17)11(15)12(18-9(3)4)19-10(5)6;/h4*9-10,12H,7-8H2,1-6H3,(H,16,17);/q;;;;+4/p-4