butane; propan-2-one; zirconium(3+)

Systemtic Name: butane; propan-2-one; zirconium(3+) Openeye Name: acetone; butane; zirconium(3+) CAS Name: butane; 2-propanone; zirconium(3+) IUPAC Name: butane; propan-2-one; zirconium(3+) Traditional Name: acetone; butane; zirconium(3+) Formula: C18H39O2Zr MolecularWeight: 378.72506

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCC[CH2-].CC(=O)C.CC(=O)C.[Zr+3]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCC[CH2-].CC(=O)C.CC(=O)C.[Zr+3]

InChI

InChI=1S/3C4H9.2C3H6O.Zr/c3*1-3-4-2;2*1-3(2)4;/h3*1,3-4H2,2H3;2*1-2H3;/q3*-1;;;+3