Cas no 98981-26-1 (trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate)
![trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate structure](https://ossimg.kuujia.com/scimg/99000/98981-26-1x500.png)
98981-26-1 structure
Product Name:trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate
CAS No:98981-26-1
MF:C23H15Na3O9S
MW:536.39411854744
CID:1002693
Update Time:2026-04-29
trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate Chemical and Physical Properties
Names and Identifiers
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- trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate
- trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-
- trisodium,5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
- 5-[(Z)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
-
Computed Properties
- Exact Mass: 536.013
- Monoisotopic Mass: 536.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 36
- Rotatable Bond Count: 3
- Complexity: 1030
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 183A^2
Experimental Properties
- PSA: 183.14000
- LogP: 1.83700
trisodium 3-[(3-carboxylato-4-hydroxy-5-methyl-phenyl)-(2-sulfonatophe nyl)methylidene]-5-methyl-6-oxo-cyclohexa-1,4-diene-1-carboxylate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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