CAS 88122-99-0

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Also known as: Octyl triazone, 88122-99-0, Uvinul t 150, Tris(2-ethylhexyl) 4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoate, 116244-12-3, Xqn8r9sak4

Molecular Formula

C₄₈H₆₆N₆O₆

Molecular Weight

823.1 g/mol

InChI Key

JGUMTYWKIBJSTN-UHFFFAOYSA-N

FDA UNII

XQN8R9SAK4

1 2D Structure

CAS 88122-99-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate

2.1.2 InChI

InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)

2.1.3 InChI Key

JGUMTYWKIBJSTN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC(CC)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)OCC(CC)CCCC)NC4=CC=C(C=C4)C(=O)OCC(CC)CCCC

2.2 Other Identifiers

2.2.1 UNII

XQN8R9SAK4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Octyl Triazone

2.3.2 Depositor-Supplied Synonyms

1. Octyl Triazone

2. 88122-99-0

3. Uvinul T 150

4. Tris(2-ethylhexyl) 4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoate

5. 116244-12-3

6. Xqn8r9sak4

7. 2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate

8. Mfcd09753106

9. Tris(2-ethylhexyl)-4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate

10. Benzoic Acid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, Tris(2-ethylhexyl) Ester

11. Uvasorb Et

12. Benzoic Acid, 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tris-,1,1',1''-tris(2-ethylhexyl) Ester

13. Uvinul T150

14. Ethylhexyl Triazone(uv-t-150)

15. Unii-xqn8r9sak4

16. Uvt-150

17. 2,4,6-trianilino-p-(carbo-2'-ethylhexyl-1'-oxy)-1,3,5-triazine

18. C48h66n6o6

19. Octil Triazone

20. Uvinul-t-150

21. Ec 402-070-1

22. Schembl62195

23. Chembl4462531

24. Ethylhexyl Triazone [mi]

25. Octyl Triazone [who-dd]

26. Dtxsid90868994

27. Ethylhexyl Triazone [inci]

28. Amy42004

29. Bcp11409

30. Ethylhexyl Triazone [usp-rs]

31. Akos030228640

32. Db15469

33. Ds-3287

34. Ethylhexyl Triazone, Analytical Standard

35. Ncgc00183599-01

36. Sy077954

37. Hy-109655

38. Cs-0033785

39. E1312

40. Ns00013679

41. T73032

42. Q-201502

43. Q2455834

44. 2,4,6-trianilino-(p-carbo-2'-ethylhexyl-1'-oxy)-1,3,5-triazine

45. Ethylhexyl Triazone, United States Pharmacopeia (usp) Reference Standard

46. Uvt-150; Uvinul T 150 Pound>>ethylhexyl Triazone Pound>>uv-t-150

47. 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)trisbenzoic Acid Tris(2-ethylhexyl) Ester

48. Tris(2-ethylhexyl) 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)trisbenzoate

49. Tris(2-ethylhexyl)4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(azanediyl))tribenzoate

50. Tris(2-ethylhexyl) 4,4 Inverted Exclamation Mark ,4 Inverted Exclamation Mark Inverted Exclamation Mark -[(1,3,5-triazine-2,4,6-triyl)tris(azanediyl)]tribenzoate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₄₈H₆₆N₆O₆
Molecular Weight	823.1 g/mol
XLogP3	14.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	154
Heavy Atom Count	60
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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