aluminum; 2,2-dimethylpropane-1,3-diol; ethyl 3-oxidanylidenebutanoate; propan-2-olate

Systemtic Name: aluminum; 2,2-dimethylpropane-1,3-diol; ethyl 3-oxidanylidenebutanoate; propan-2-olate Openeye Name: aluminum; 2,2-dimethylpropane-1,3-diol; ethyl 3-oxobutanoate; propan-2-olate CAS Name: aluminum; 2,2-dimethylpropane-1,3-diol; 3-oxobutanoic acid ethyl ester; 2-propanolate IUPAC Name: aluminum; 2,2-dimethylpropane-1,3-diol; ethyl 3-oxobutanoate; propan-2-olate Traditional Name: aluminum; 2,2-dimethylpropane-1,3-diol; 3-ketobutyric acid ethyl ester; propan-2-olate Formula: C20H43AlO8 MolecularWeight: 438.532158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O3.C5H12O2.3C3H7O.Al/c1-3-9-6(8)4-5(2)7;1-5(2,3-6)4-7;3*1-3(2)4;/h3-4H2,1-2H3;6-7H,3-4H2,1-2H3;3*3H,1-2H3;/q;;3*-1;+3