ethane; hydrogen peroxide; methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; titanium

Systemtic Name: ethane; hydrogen peroxide; methyl 4,4-dimethyl-3-oxidanylidene-hexanoate; titanium Openeye Name: ethane; hydrogen peroxide; methyl 4,4-dimethyl-3-oxo-hexanoate; titanium CAS Name: 4,4-dimethyl-3-oxohexanoic acid methyl ester; ethane; hydrogen peroxide; titanium IUPAC Name: ethane; hydrogen peroxide; methyl 4,4-dimethyl-3-oxohexanoate; titanium Traditional Name: ethane; hydrogen peroxide; 3-keto-4,4-dimethyl-hexanoic acid methyl ester; titanium Formula: C20H40O8Ti MolecularWeight: 456.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H16O3.C2H6.H2O2.Ti/c2*1-5-9(2,3)7(10)6-8(11)12-4;2*1-2;/h2*5-6H2,1-4H3;1-2H3;1-2H;