2,3-dimethylbutane-2,3-diol; 1-ethoxy-4,4-dimethyl-1-oxidanyl-pentan-3-one; zirconium

Systemtic Name: 2,3-dimethylbutane-2,3-diol; 1-ethoxy-4,4-dimethyl-1-oxidanyl-pentan-3-one; zirconium Openeye Name: 2,3-dimethylbutane-2,3-diol; 1-ethoxy-1-hydroxy-4,4-dimethyl-pentan-3-one; zirconium CAS Name: 2,3-dimethylbutane-2,3-diol; 1-ethoxy-1-hydroxy-4,4-dimethyl-3-pentanone; zirconium IUPAC Name: 2,3-dimethylbutane-2,3-diol; 1-ethoxy-1-hydroxy-4,4-dimethylpentan-3-one; zirconium Traditional Name: 1-ethoxy-1-hydroxy-4,4-dimethyl-pentan-3-one; pinacol; zirconium Formula: C15H32O5Zr MolecularWeight: 383.63558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(=O)C(C)(C)C)O.CC(C)(C(C)(C)O)O.[Zr]

Isomeric SMILES

CCOC(CC(=O)C(C)(C)C)O.CC(C)(C(C)(C)O)O.[Zr]

InChI

InChI=1S/C9H18O3.C6H14O2.Zr/c1-5-12-8(11)6-7(10)9(2,3)4;1-5(2,7)6(3,4)8;/h8,11H,5-6H2,1-4H3;7-8H,1-4H3;