aluminum; butan-2-olate; 2-ethyl-3-oxidanylidene-butanoate

Systemtic Name: aluminum; butan-2-olate; 2-ethyl-3-oxidanylidene-butanoate Openeye Name: aluminum; butan-2-olate; 2-ethyl-3-oxo-butanoate CAS Name: aluminum; 2-butanolate; 2-ethyl-3-oxobutanoate IUPAC Name: aluminum; butan-2-olate; 2-ethyl-3-oxobutanoate Traditional Name: aluminum; butan-2-olate; 2-ethyl-3-keto-butyrate Formula: C16H27AlO7 MolecularWeight: 358.362918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H10O3.C4H9O.Al/c2*1-3-5(4(2)7)6(8)9;1-3-4(2)5;/h2*5H,3H2,1-2H3,(H,8,9);4H,3H2,1-2H3;/q;;-1;+3/p-2