aluminum ethyl 3-oxidanylidenebutanoate triethanoate

Systemtic Name: aluminum ethyl 3-oxidanylidenebutanoate triethanoate Openeye Name: aluminum ethyl 3-oxobutanoate triacetate CAS Name: aluminum 3-oxobutanoic acid ethyl ester triacetate IUPAC Name: aluminum ethyl 3-oxobutanoate triacetate Traditional Name: aluminum 3-ketobutyric acid ethyl ester triacetate Formula: C42H69AlO24 MolecularWeight: 984.964398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C6H10O3.3C2H4O2.Al/c6*1-3-9-6(8)4-5(2)7;3*1-2(3)4;/h6*3-4H2,1-2H3;3*1H3,(H,3,4);/q;;;;;;;;;+3/p-3