2-ethyl-3-oxidanylidene-butanoate; titanium(2+); 2,4,4-trimethylpentan-1-ol

Systemtic Name: 2-ethyl-3-oxidanylidene-butanoate; titanium(2+); 2,4,4-trimethylpentan-1-ol Openeye Name: 2-ethyl-3-oxo-butanoate; titanium(2+); 2,4,4-trimethylpentan-1-ol CAS Name: 2-ethyl-3-oxobutanoate; titanium(2+); 2,4,4-trimethyl-1-pentanol IUPAC Name: 2-ethyl-3-oxobutanoate; titanium(2+); 2,4,4-trimethylpentan-1-ol Traditional Name: 2-ethyl-3-keto-butyrate; titanium(2+); 2,4,4-trimethylpentan-1-ol Formula: C28H54O8Ti MolecularWeight: 566.59056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H18O.2C6H10O3.Ti/c2*1-7(6-9)5-8(2,3)4;2*1-3-5(4(2)7)6(8)9;/h2*7,9H,5-6H2,1-4H3;2*5H,3H2,1-2H3,(H,8,9);/q;;;;+2/p-2