butan-1-ol; methyl 3-oxidanylidenebutanoate; zirconium(2+)

Systemtic Name: butan-1-ol; methyl 3-oxidanylidenebutanoate; zirconium(2+) Openeye Name: butan-1-ol; methyl 3-oxobutanoate; zirconium(2+) CAS Name: 1-butanol; 3-oxobutanoic acid methyl ester; zirconium(2+) IUPAC Name: butan-1-ol; methyl 3-oxobutanoate; zirconium(2+) Traditional Name: butan-1-ol; 3-ketobutyric acid methyl ester; zirconium(2+) Formula: C18H34O8Zr MolecularWeight: 469.68176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.COC(=O)CC(=O)[CH2-].COC(=O)CC(=O)[CH2-].[Zr+2]

Isomeric SMILES

CCCCO.CCCCO.COC(=O)CC(=O)[CH2-].COC(=O)CC(=O)[CH2-].[Zr+2]

InChI

InChI=1S/2C5H7O3.2C4H10O.Zr/c2*1-4(6)3-5(7)8-2;2*1-2-3-4-5;/h2*1,3H2,2H3;2*5H,2-4H2,1H3;/q2*-1;;;+2