butan-1-ol; 3-oxidanylidenebutanoic acid; titanium

Systemtic Name: butan-1-ol; 3-oxidanylidenebutanoic acid; titanium Openeye Name: butan-1-ol; 3-oxobutanoic acid; titanium CAS Name: 1-butanol; 3-oxobutanoic acid; titanium IUPAC Name: butan-1-ol; 3-oxobutanoic acid; titanium Traditional Name: acetoacetic acid; butan-1-ol; titanium Formula: C16H32O8Ti MolecularWeight: 400.28748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CC(=O)CC(=O)O.CC(=O)CC(=O)O.[Ti]

Isomeric SMILES

CCCCO.CCCCO.CC(=O)CC(=O)O.CC(=O)CC(=O)O.[Ti]

InChI

InChI=1S/2C4H6O3.2C4H10O.Ti/c2*1-3(5)2-4(6)7;2*1-2-3-4-5;/h2*2H2,1H3,(H,6,7);2*5H,2-4H2,1H3;