94277-74-4 Purity
96%
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The molecular formula of tridocosyl citrate is C72H140O7.
The molecular weight of tridocosyl citrate is 1117.9 g/mol.
The IUPAC name of tridocosyl citrate is tridocosyl 2-hydroxypropane-1,2,3-tricarboxylate.
The InChI of tridocosyl citrate is InChI=1S/C72H140O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-77-69(73)67-72(76,71(75)79-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)68-70(74)78-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h76H,4-68H2,1-3H3.
The InChIKey of tridocosyl citrate is HITKLFKAGHPBFY-UHFFFAOYSA-N.
The canonical SMILES of tridocosyl citrate is CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCCCCCCCC)O.
The CAS number of tridocosyl citrate is 94277-82-4.
The European Community (EC) number of tridocosyl citrate is 304-666-6.
The DSSTox Substance ID of tridocosyl citrate is DTXSID60241376.
Yes, tridocosyl citrate is a canonicalized compound.