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

Systemtic Name: butan-1-ol; ethyl 3-oxidanylidenebutanoate; zirconium Openeye Name: butan-1-ol; ethyl 3-oxobutanoate; zirconium CAS Name: 1-butanol; 3-oxobutanoic acid ethyl ester; zirconium IUPAC Name: butan-1-ol; ethyl 3-oxobutanoate; zirconium Traditional Name: butan-1-ol; 3-ketobutyric acid ethyl ester; zirconium Formula: C22H40O10Zr MolecularWeight: 555.771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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