butan-1-ol; 2,2-diethyl-3-oxidanylidene-butanoate; titanium(2+)

Systemtic Name: butan-1-ol; 2,2-diethyl-3-oxidanylidene-butanoate; titanium(2+) Openeye Name: butan-1-ol; 2,2-diethyl-3-oxo-butanoate; titanium(2+) CAS Name: 1-butanol; 2,2-diethyl-3-oxobutanoate; titanium(2+) IUPAC Name: butan-1-ol; 2,2-diethyl-3-oxobutanoate; titanium(2+) Traditional Name: butan-1-ol; 2,2-diethyl-3-keto-butyrate; titanium(2+) Formula: C24H46O8Ti MolecularWeight: 510.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H14O3.2C4H10O.Ti/c2*1-4-8(5-2,6(3)9)7(10)11;2*1-2-3-4-5;/h2*4-5H2,1-3H3,(H,10,11);2*5H,2-4H2,1H3;/q;;;;+2/p-2