aluminum 2-(2-octadecanoyloxypropanoyloxy)propanoate

Systemtic Name: aluminum 2-(2-octadecanoyloxypropanoyloxy)propanoate Openeye Name: aluminum 2-(2-octadecanoyloxypropanoyloxy)propanoate CAS Name: aluminum 2-[1-oxo-2-(1-oxooctadecoxy)propoxy]propanoate IUPAC Name: aluminum 2-(2-octadecanoyloxypropanoyloxy)propanoate Traditional Name: aluminum 2-(2-stearoyloxypropanoyloxy)propionate Formula: C72H129AlO18 MolecularWeight: 1309.765398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C24H44O6.Al/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h3*20-21H,4-19H2,1-3H3,(H,26,27);/q;;;+3/p-3