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1,3-diphosphonooxypropan-2-yl octadecanoate

1,3-diphosphonooxypropan-2-yl octadecanoate

Systemtic Name:1,3-diphosphonooxypropan-2-yl octadecanoate
Openeye Name:[2-phosphonooxy-1-(phosphonooxymethyl)ethyl] octadecanoate
CAS Name:octadecanoic acid 1,3-diphosphonooxypropan-2-yl ester
IUPAC Name:1,3-diphosphonooxypropan-2-yl octadecanoate
Traditional Name:stearic acid [2-phosphonooxy-1-(phosphonooxymethyl)ethyl] ester
Formula: C21H44O10P2
MolecularWeight: 518.515582
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COP(=O)(O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)COP(=O)(O)O


InChI

InChI=1S/C21H44O10P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)31-20(18-29-32(23,24)25)19-30-33(26,27)28/h20H,2-19H2,1H3,(H2,23,24,25)(H2,26,27,28)


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