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

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

Systemtic Name:calcium 1,3-bis(oxidanyl)propan-2-yl octadecanoate
Openeye Name:calcium [2-hydroxy-1-(hydroxymethyl)ethyl] octadecanoate
CAS Name:calcium octadecanoic acid 1,3-dihydroxypropan-2-yl ester
IUPAC Name:calcium 1,3-dihydroxypropan-2-yl octadecanoate
Traditional Name:calcium stearic acid (2-hydroxy-1-methylol-ethyl) ester
Formula: C21H42CaO4+2
MolecularWeight: 398.63378
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H42O4.Ca/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;+2


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