sodium 1,3-bis(oxidanyl)propan-2-yl octadecanoate

Systemtic Name: sodium 1,3-bis(oxidanyl)propan-2-yl octadecanoate Openeye Name: sodium [2-hydroxy-1-(hydroxymethyl)ethyl] octadecanoate CAS Name: sodium octadecanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: sodium 1,3-dihydroxypropan-2-yl octadecanoate Traditional Name: sodium stearic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C21H42NaO4+ MolecularWeight: 381.54555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.[Na+]

InChI

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