butan-1-olate; ethane; 3-oxidanylidenebutanoic acid; zirconium(4+)

Systemtic Name: butan-1-olate; ethane; 3-oxidanylidenebutanoic acid; zirconium(4+) Openeye Name: butan-1-olate; ethane; 3-oxobutanoic acid; zirconium(4+) CAS Name: 1-butanolate; ethane; 3-oxobutanoic acid; zirconium(4+) IUPAC Name: butan-1-olate; ethane; 3-oxobutanoic acid; zirconium(4+) Traditional Name: acetoacetic acid; butan-1-olate; ethane; zirconium(4+) Formula: C18H38O6Zr MolecularWeight: 441.71472

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].CCCC[O-].CCCC[O-].CCCC[O-].CC(=O)CC(=O)O.[Zr+4]

Isomeric SMILES

C[CH2-].CCCC[O-].CCCC[O-].CCCC[O-].CC(=O)CC(=O)O.[Zr+4]

InChI

InChI=1S/C4H6O3.3C4H9O.C2H5.Zr/c1-3(5)2-4(6)7;3*1-2-3-4-5;1-2;/h2H2,1H3,(H,6,7);3*2-4H2,1H3;1H2,2H3;/q;4*-1;+4