dialuminum; 7,7-dimethyloctanoate; propan-2-olate

Systemtic Name: dialuminum; 7,7-dimethyloctanoate; propan-2-olate Openeye Name: dialuminum; 7,7-dimethyloctanoate; propan-2-olate CAS Name: dialuminum; 7,7-dimethyloctanoate; 2-propanolate IUPAC Name: dialuminum; 7,7-dimethyloctanoate; propan-2-olate Traditional Name: dialuminum; 7,7-dimethylcaprylate; propan-2-olate Formula: C39H78Al2O9 MolecularWeight: 744.994296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Al+3].[Al+3]

Isomeric SMILES

CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Al+3].[Al+3]

InChI

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