calcium 2-(2-octadecanoyloxypropanoyloxy)propanoate

Systemtic Name: calcium 2-(2-octadecanoyloxypropanoyloxy)propanoate Openeye Name: calcium 2-(2-octadecanoyloxypropanoyloxy)propanoate CAS Name: calcium 2-[1-oxo-2-(1-oxooctadecoxy)propoxy]propanoate IUPAC Name: calcium 2-(2-octadecanoyloxypropanoyloxy)propanoate Traditional Name: calcium 2-(2-stearoyloxypropanoyloxy)propionate Formula: C48H86CaO12 MolecularWeight: 895.26724

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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-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C24H44O6.Ca/c2*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;/h2*20-21H,4-19H2,1-3H3,(H,26,27);/q;;+2/p-2