barium(2+); 2-(2-hexadecanoyloxypropanoyloxy)propanoate

Systemtic Name: barium(2+); 2-(2-hexadecanoyloxypropanoyloxy)propanoate Openeye Name: barium(2+); 2-(2-hexadecanoyloxypropanoyloxy)propanoate CAS Name: barium(2+); 2-[1-oxo-2-(1-oxohexadecoxy)propoxy]propanoate IUPAC Name: barium(2+); 2-(2-hexadecanoyloxypropanoyloxy)propanoate Traditional Name: barium(2+); 2-(2-hexadecanoyloxypropanoyloxy)propionate Formula: C44H78BaO12 MolecularWeight: 936.40992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Ba+2]

InChI

InChI=1S/2C22H40O6.Ba/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)27-19(3)22(26)28-18(2)21(24)25;/h2*18-19H,4-17H2,1-3H3,(H,24,25);/q;;+2/p-2