2,2-diethyl-3-oxidanylidene-butanoate; 1-(dioxidanyl)propane; titanium(4+)

Systemtic Name: 2,2-diethyl-3-oxidanylidene-butanoate; 1-(dioxidanyl)propane; titanium(4+) Openeye Name: 2,2-diethyl-3-oxo-butanoate; 1-hydroperoxypropane; titanium(4+) CAS Name: 2,2-diethyl-3-oxobutanoate; 1-hydroperoxypropane; titanium(4+) IUPAC Name: 2,2-diethyl-3-oxobutanoate; 1-hydroperoxypropane; titanium(4+) Traditional Name: 2,2-diethyl-3-keto-butyrate; 1-hydroperoxypropane; titanium(4+) Formula: C35H60O14Ti MolecularWeight: 752.7095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C8H14O3.C3H8O2.Ti/c4*1-4-8(5-2,6(3)9)7(10)11;1-2-3-5-4;/h4*4-5H2,1-3H3,(H,10,11);4H,2-3H2,1H3;/q;;;;;+4/p-4