dialuminum; (E)-2-ethanoylicos-11-enoic acid; 3-oxidanylidenebutanoate; propanoate

Systemtic Name: dialuminum; (E)-2-ethanoylicos-11-enoic acid; 3-oxidanylidenebutanoate; propanoate Openeye Name: dialuminum; (E)-2-acetylicos-11-enoic acid; 3-oxobutanoate; propanoate CAS Name: dialuminum; (E)-2-acetyl-11-eicosenoic acid; 3-oxobutanoate; propanoate IUPAC Name: dialuminum; (E)-2-acetylicos-11-enoic acid; 3-oxobutanoate; propanoate Traditional Name: dialuminum; acetoacetate; (E)-2-acetyleicos-11-enoic acid; propionate Formula: C43H70Al2O18 MolecularWeight: 928.968176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(=O)C)C(=O)O.CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].CC(=O)CC(=O)[O-].[Al+3].[Al+3]

InChI

InChI=1S/C22H40O3.3C4H6O3.3C3H6O2.2Al/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(20(2)23)22(24)25;3*1-3(5)2-4(6)7;3*1-2-3(4)5;;/h10-11,21H,3-9,12-19H2,1-2H3,(H,24,25);3*2H2,1H3,(H,6,7);3*2H2,1H3,(H,4,5);;/q;;;;;;;2*+3/p-6/b11-10+;;;;;;;;