Cas no 120831-54-1 (Trihexadecyl benzene-1,2,4-tricarboxylate)
120831-54-1 structure
Product Name:Trihexadecyl benzene-1,2,4-tricarboxylate
CAS No:120831-54-1
MF:C57H102O6
MW:883.416199207306
CID:2661446
Update Time:2023-08-06
Trihexadecyl benzene-1,2,4-tricarboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid trihexadecyl ester
- Trimellitic acid trihexadecyl ester
- Trihexadecyl benzene-1,2,4-tricarboxylate
-
- Inchi： 1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-48-61-55(58)52-46-47-53(56(59)62-49-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(51-52)57(60)63-50-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-47,51H,4-45,48-50H2,1-3H3
- InChI Key： VMZCSOPLOWCHBX-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=CC=1C(=O)OCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 63
- Rotatable Bond Count: 51
- Complexity: 997
- Topological Polar Surface Area: 78.9
Trihexadecyl benzene-1,2,4-tricarboxylate Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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