30507-70-1 Purity
90%
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Specification
The molecular formula is C19H34O6.
Some synonyms are dodecanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester and SCHEMBL386247.
The CAS number is 55191-43-0.
The IUPAC name is 1,3-diacetyloxypropan-2-yl dodecanoate.
The InChI is InChI=1S/C19H34O6/c1-4-5-6-7-8-9-10-11-12-13-19(22)25-18(14-23-16(2)20)15-24-17(3)21/h18H,4-15H2,1-3H3.
The InChIKey is IADBTKCAYVABOP-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C.
The XLogP3-AA value is 5.1.
It has 18 rotatable bonds.
Yes, it is a canonicalized compound.