Please Wait
Applying Filters...
Xls
2D Structure
Also known as: 2449-35-6, 4,4'-dicarboxydiphenyl sulfone, 4-(4-carboxyphenyl)sulfonylbenzoic acid, 4,4'-sulfonylbis-benzoic acid, Benzoic acid, 4,4'-sulfonylbis-, P,p'-sulfonyl dibenzoic acid
Molecular Formula
C14H10O6S
Molecular Weight
306.29  g/mol
InChI Key
SQJQLYOMPSJVQS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-carboxyphenyl)sulfonylbenzoic acid
2.1.2 InChI
InChI=1S/C14H10O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
2.1.3 InChI Key
SQJQLYOMPSJVQS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2449-35-6

2. 4,4'-dicarboxydiphenyl Sulfone

3. 4-(4-carboxyphenyl)sulfonylbenzoic Acid

4. 4,4'-sulfonylbis-benzoic Acid

5. Benzoic Acid, 4,4'-sulfonylbis-

6. P,p'-sulfonyl Dibenzoic Acid

7. 4,4-sulfonyldibenzoic Acid

8. 4,4''-sulfonyldibenzoic Acid

9. Chembl220175

10. Nsc-12451

11. 4-(4-carboxybenzenesulfonyl)benzoic Acid

12. Benzoic Acid,4,4'-sulfonylbis-

13. 4,4'-sulfonyldibenzoicacid

14. Dicarboxydiphenylsulfone

15. 4-[(4-carboxybenzene)sulfonyl]benzoic Acid

16. P,p'-sulfonyldibenzoic Acid

17. Oprea1_284611

18. Oprea1_350644

19. Schembl22349

20. Yswg502

21. Dtxsid50279360

22. Sqjqlyompsjvqs-uhfffaoysa-n

23. Nsc12451

24. 4,4'-sulfonyldibenzoic Acid, 97%

25. Bdbm50293597

26. Mfcd00020375

27. Stk366523

28. Akos003242095

29. Cs-w009431

30. As-60544

31. D2367

32. Ns00127841

33. T70635

34. Sr-01000312649

35. Sr-01000312649-1

36. 4-(trans-4-pentylcyclohexyl)-3,4-difluorobiphenyl

37. Inchi=1/c14h10o6s/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8h,(h,15,16)(h,17,18

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 306.29 g/mol
Molecular Formula C14H10O6S
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area117
Heavy Atom Count21
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1