hexane-2,4-dione; methyl 4,4-dimethyl-3-oxidanylidene-pentanoate; titanium(2+)

Systemtic Name: hexane-2,4-dione; methyl 4,4-dimethyl-3-oxidanylidene-pentanoate; titanium(2+) Openeye Name: hexane-2,4-dione; methyl 4,4-dimethyl-3-oxo-pentanoate; titanium(2+) CAS Name: 4,4-dimethyl-3-oxopentanoic acid methyl ester; hexane-2,4-dione; titanium(2+) IUPAC Name: hexane-2,4-dione; methyl 4,4-dimethyl-3-oxopentanoate; titanium(2+) Traditional Name: hexane-2,4-dione; 3-keto-4,4-dimethyl-valeric acid methyl ester; titanium(2+) Formula: C22H38O8Ti+2 MolecularWeight: 478.39932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H14O3.C6H10O2.Ti/c2*1-8(2,3)6(9)5-7(10)11-4;1-3-6(8)4-5(2)7;/h2*5H2,1-4H3;3-4H2,1-2H3;/q;;;+2