butane; ethanoic acid; zirconium(3+)

Systemtic Name: butane; ethanoic acid; zirconium(3+) Openeye Name: acetic acid; butane; zirconium(3+) CAS Name: acetic acid; butane; zirconium(3+) IUPAC Name: acetic acid; butane; zirconium(3+) Traditional Name: acetic acid; butane; zirconium(3+) Formula: C14H31O2Zr MolecularWeight: 322.61874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H9.C2H4O2.Zr/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q3*-1;;+3