dialuminum; (E)-2-ethanoylicos-11-enoic acid; propanoate; prop-2-enoate

Systemtic Name: dialuminum; (E)-2-ethanoylicos-11-enoic acid; propanoate; prop-2-enoate Openeye Name: dialuminum; (E)-2-acetylicos-11-enoic acid; propanoate; prop-2-enoate CAS Name: dialuminum; (E)-2-acetyl-11-eicosenoic acid; propanoate; 2-propenoate IUPAC Name: dialuminum; (E)-2-acetylicos-11-enoic acid; propanoate; prop-2-enoate Traditional Name: dialuminum; (E)-2-acetyleicos-11-enoic acid; acrylate; propionate Formula: C40H64Al2O15 MolecularWeight: 838.890236

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

InChI

InChI=1S/C22H40O3.3C3H6O2.3C3H4O2.2Al/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;6*1-2-3(4)5;;/h10-11,21H,3-9,12-19H2,1-2H3,(H,24,25);3*2H2,1H3,(H,4,5);3*2H,1H2,(H,4,5);;/q;;;;;;;2*+3/p-6/b11-10+;;;;;;;;