hexadecylaluminum(2+); octanoate

Systemtic Name: hexadecylaluminum(2+); octanoate Openeye Name: hexadecylaluminum(2+); octanoate CAS Name: hexadecylaluminum(2+); octanoate IUPAC Name: hexadecylaluminum(2+); octanoate Traditional Name: caprylate; cetylaluminum(2+) Formula: C40H78AlO6- MolecularWeight: 682.025258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[Al+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[Al+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-]

InChI

InChI=1S/C16H33.3C8H16O2.Al/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;3*1-2-3-4-5-6-7-8(9)10;/h1,3-16H2,2H3;3*2-7H2,1H3,(H,9,10);/q;;;;+2/p-3