butan-1-ol; 3-oxidanylidenebutanoate; zirconium

Systemtic Name: butan-1-ol; 3-oxidanylidenebutanoate; zirconium Openeye Name: butan-1-ol; 3-oxobutanoate; zirconium CAS Name: 1-butanol; 3-oxobutanoate; zirconium IUPAC Name: butan-1-ol; 3-oxobutanoate; zirconium Traditional Name: acetoacetate; butan-1-ol; zirconium Formula: C24H45O12Zr3-3 MolecularWeight: 799.2789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CCCCO.CCCCO.CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Zr].[Zr].[Zr]

Isomeric SMILES

CCCCO.CCCCO.CCCCO.CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Zr].[Zr].[Zr]

InChI

InChI=1S/3C4H6O3.3C4H10O.3Zr/c3*1-3(5)2-4(6)7;3*1-2-3-4-5;;;/h3*2H2,1H3,(H,6,7);3*5H,2-4H2,1H3;;;/p-3