butane; ethanol; zirconium(2+)

Systemtic Name: butane; ethanol; zirconium(2+) Openeye Name: butane; ethanol; zirconium(2+) CAS Name: butane; ethanol; zirconium(2+) IUPAC Name: butane; ethanol; zirconium(2+) Traditional Name: butane; ethanol; zirconium(2+) Formula: C12H30O2Zr MolecularWeight: 297.5894

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCO.CCO.[Zr+2]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCO.CCO.[Zr+2]

InChI

InChI=1S/2C4H9.2C2H6O.Zr/c2*1-3-4-2;2*1-2-3;/h2*1,3-4H2,2H3;2*3H,2H2,1H3;/q2*-1;;;+2