butan-2-ol; ethyl 3-oxidanylidenebutanoate; titanium

Systemtic Name: butan-2-ol; ethyl 3-oxidanylidenebutanoate; titanium Openeye Name: butan-2-ol; ethyl 3-oxobutanoate; titanium CAS Name: 2-butanol; 3-oxobutanoic acid ethyl ester; titanium IUPAC Name: butan-2-ol; ethyl 3-oxobutanoate; titanium Traditional Name: butan-2-ol; 3-ketobutyric acid ethyl ester; titanium Formula: C20H40O8Ti MolecularWeight: 456.3938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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