butan-1-ol; ethyl 3-oxidanylidenebutanoate; titanium

Systemtic Name: butan-1-ol; ethyl 3-oxidanylidenebutanoate; titanium Openeye Name: butan-1-ol; ethyl 3-oxobutanoate; titanium CAS Name: 1-butanol; 3-oxobutanoic acid ethyl ester; titanium IUPAC Name: butan-1-ol; ethyl 3-oxobutanoate; titanium Traditional Name: butan-1-ol; 3-ketobutyric acid ethyl ester; titanium Formula: C22H40O10Ti MolecularWeight: 512.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H10O3.C4H10O.Ti/c3*1-3-9-6(8)4-5(2)7;1-2-3-4-5;/h3*3-4H2,1-2H3;5H,2-4H2,1H3;