Cas no 120062-71-7 (Tritetradecyl benzene-1,2,4-tricarboxylate)
120062-71-7 structure
Product Name:Tritetradecyl benzene-1,2,4-tricarboxylate
CAS No:120062-71-7
MF:C51H90O6
MW:799.256717205048
CID:2661385
Update Time:2023-08-06
Tritetradecyl benzene-1,2,4-tricarboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarboxylic acid tritetradecyl ester
- Trimellitic acid tritetradecyl ester
- Tritetradecyl benzene-1,2,4-tricarboxylate
-
- Inchi： 1S/C51H90O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-42-55-49(52)46-40-41-47(50(53)56-43-38-35-32-29-26-23-20-17-14-11-8-5-2)48(45-46)51(54)57-44-39-36-33-30-27-24-21-18-15-12-9-6-3/h40-41,45H,4-39,42-44H2,1-3H3
- InChI Key： JVIAMPYPAKKXOQ-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=CC=1C(=O)OCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 798.674
- Monoisotopic Mass: 798.674
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 57
- Rotatable Bond Count: 45
- Complexity: 904
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.9
Tritetradecyl benzene-1,2,4-tricarboxylate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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