butan-1-ol; 2-ethyl-3-oxidanylidene-butanoic acid; oxidanylidenetitanium

Systemtic Name: butan-1-ol; 2-ethyl-3-oxidanylidene-butanoic acid; oxidanylidenetitanium Openeye Name: butan-1-ol; 2-ethyl-3-oxo-butanoic acid; oxotitanium CAS Name: 1-butanol; 2-ethyl-3-oxobutanoic acid; oxotitanium IUPAC Name: butan-1-ol; 2-ethyl-3-oxobutanoic acid; oxotitanium Traditional Name: butan-1-ol; 2-ethyl-3-keto-butyric acid; ketotitanium Formula: C20H40O9Ti MolecularWeight: 472.3932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CCC(C(=O)C)C(=O)O.CCC(C(=O)C)C(=O)O.O=[Ti]

Isomeric SMILES

CCCCO.CCCCO.CCC(C(=O)C)C(=O)O.CCC(C(=O)C)C(=O)O.O=[Ti]

InChI

InChI=1S/2C6H10O3.2C4H10O.O.Ti/c2*1-3-5(4(2)7)6(8)9;2*1-2-3-4-5;;/h2*5H,3H2,1-2H3,(H,8,9);2*5H,2-4H2,1H3;;