143824-78-6 Purity
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Specification
The molecular formula is C32H58O8.
The synonym is Acetyl Trioctyl Citrate (ATOC).
The molecular weight is 570.8 g/mol.
It was created on November 11, 2015.
It was last modified on December 30, 2023.
The IUPAC name is trioctan-3-yl 2-acetyloxypropane-1,2,3-tricarboxylate.
The InChI is InChI=1S/C32H58O8/c1-8-14-17-20-26(11-4)37-29(34)23-32(40-25(7)33,31(36)39-28(13-6)22-19-16-10-3)24-30(35)38-27(12-5)21-18-15-9-2/h26-28H,8-24H2,1-7H3.
The InChIKey is FCDKRGZECZYTCH-UHFFFAOYSA-N.
The Canonical SMILES is CCCCCC(CC)OC(=O)CC(CC(=O)OC(CC)CCCCC)(C(=O)OC(CC)CCCCC)OC(=O)C.
The XLogP3-AA value is 9.4.
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