1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate)
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![1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e77f461d23cf4bd5b8386d6f20d93fcf.png "1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate)")
1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate)
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CAS No:
95823-41-9
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Formula:
C49H70O17
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Chemical Name:
1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate)
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Synonyms:
1,2,4-Benzenetricarboxylic acid,1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester,mono(hydrogen 1,2-benzenedicarboxylate)
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CAS No:
1,2,4-Benzenetricarboxylic acid, 1(or 2)-[2,2-bis(hydroxymethyl)butyl] 2,4(or 1,4)-bis[2-hydroxy-3-[(1-oxoneodecyl)oxy]propyl] ester, mono(hydrogen 1,2-benzenedicarboxylate) Basic Attributes
326.29900
326.10016753
Computed Properties
Molecular Weight:326.30
XLogP3:0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:326.10016753
Monoisotopic Mass:326.10016753
Topological Polar Surface Area:141
Heavy Atom Count:23
Complexity:443
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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