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docosanoate; undecane-1,2,3-triol

docosanoate; undecane-1,2,3-triol

Systemtic Name:docosanoate; undecane-1,2,3-triol
Openeye Name:docosanoate; undecane-1,2,3-triol
CAS Name:docosanoate; undecane-1,2,3-triol
IUPAC Name:docosanoate; undecane-1,2,3-triol
Traditional Name:behenate; undecane-1,2,3-triol
Formula: C33H67O5-
MolecularWeight: 543.88208
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC(C(CO)O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC(C(CO)O)O


InChI

InChI=1S/C22H44O2.C11H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-2-3-4-5-6-7-8-10(13)11(14)9-12/h2-21H2,1H3,(H,23,24);10-14H,2-9H2,1H3/p-1


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