butyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(2+)

Systemtic Name: butyl 3-oxidanylidenebutanoate; propan-2-ol; zirconium(2+) Openeye Name: butyl 3-oxobutanoate; propan-2-ol; zirconium(2+) CAS Name: 3-oxobutanoic acid butyl ester; 2-propanol; zirconium(2+) IUPAC Name: butyl 3-oxobutanoate; propan-2-ol; zirconium(2+) Traditional Name: 3-ketobutyric acid butyl ester; propan-2-ol; zirconium(2+) Formula: C22H42O8Zr MolecularWeight: 525.78808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(=O)[CH2-].CCCCOC(=O)CC(=O)[CH2-].CC(C)O.CC(C)O.[Zr+2]

Isomeric SMILES

CCCCOC(=O)CC(=O)[CH2-].CCCCOC(=O)CC(=O)[CH2-].CC(C)O.CC(C)O.[Zr+2]

InChI

InChI=1S/2C8H13O3.2C3H8O.Zr/c2*1-3-4-5-11-8(10)6-7(2)9;2*1-3(2)4;/h2*2-6H2,1H3;2*3-4H,1-2H3;/q2*-1;;;+2