sodium; 2,3-bis(oxidanyl)propyl octadecanoate; octadecanoate

Systemtic Name: sodium; 2,3-bis(oxidanyl)propyl octadecanoate; octadecanoate Openeye Name: sodium; 2,3-dihydroxypropyl octadecanoate; octadecanoate CAS Name: sodium; octadecanoate; octadecanoic acid 2,3-dihydroxypropyl ester IUPAC Name: sodium; 2,3-dihydroxypropyl octadecanoate; octadecanoate Traditional Name: sodium; stearate; stearic acid glyceryl ester Formula: C39H77NaO6 MolecularWeight: 665.01485

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.[Na+]

InChI

InChI=1S/C21H42O4.C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h20,22-23H,2-19H2,1H3;2-17H2,1H3,(H,19,20);/q;;+1/p-1