methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; propan-2-ol; titanium

Systemtic Name: methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; propan-2-ol; titanium Openeye Name: methyl 4,4-dimethyl-3-oxo-hexanoate; propan-2-ol; titanium CAS Name: 4,4-dimethyl-3-oxohexanoic acid methyl ester; 2-propanol; titanium IUPAC Name: methyl 4,4-dimethyl-3-oxohexanoate; propan-2-ol; titanium Traditional Name: 3-keto-4,4-dimethyl-hexanoic acid methyl ester; propan-2-ol; titanium Formula: C24H48O8Ti MolecularWeight: 512.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H16O3.2C3H8O.Ti/c2*1-5-9(2,3)7(10)6-8(11)12-4;2*1-3(2)4;/h2*5-6H2,1-4H3;2*3-4H,1-2H3;