7,7-dimethyloctanoate; propan-1-olate; zirconium(4+)

Systemtic Name: 7,7-dimethyloctanoate; propan-1-olate; zirconium(4+) Openeye Name: 7,7-dimethyloctanoate; propan-1-olate; zirconium(4+) CAS Name: 7,7-dimethyloctanoate; 1-propanolate; zirconium(4+) IUPAC Name: 7,7-dimethyloctanoate; propan-1-olate; zirconium(4+) Traditional Name: 7,7-dimethylcaprylate; propan-1-olate; zirconium(4+) Formula: C33H64O7Zr MolecularWeight: 664.08106

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Descriptors Computed from Structure

Canonical SMILES:

CCC[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Zr+4]

Isomeric SMILES

CCC[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Zr+4]

InChI

InChI=1S/3C10H20O2.C3H7O.Zr/c3*1-10(2,3)8-6-4-5-7-9(11)12;1-2-3-4;/h3*4-8H2,1-3H3,(H,11,12);2-3H2,1H3;/q;;;-1;+4/p-3