2-ethanoylpentanoate; titanium(4+)

Systemtic Name: 2-ethanoylpentanoate; titanium(4+) Openeye Name: 2-acetylpentanoate; titanium(4+) CAS Name: 2-acetylpentanoate; titanium(4+) IUPAC Name: 2-acetylpentanoate; titanium(4+) Traditional Name: 2-acetylvalerate; titanium(4+) Formula: C28H44O12Ti MolecularWeight: 620.50876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C)C(=O)[O-].CCCC(C(=O)C)C(=O)[O-].CCCC(C(=O)C)C(=O)[O-].CCCC(C(=O)C)C(=O)[O-].[Ti+4]

Isomeric SMILES

CCCC(C(=O)C)C(=O)[O-].CCCC(C(=O)C)C(=O)[O-].CCCC(C(=O)C)C(=O)[O-].CCCC(C(=O)C)C(=O)[O-].[Ti+4]

InChI

InChI=1S/4C7H12O3.Ti/c4*1-3-4-6(5(2)8)7(9)10;/h4*6H,3-4H2,1-2H3,(H,9,10);/q;;;;+4/p-4