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Also known as: 5717-37-3, Ethyl 2-(triphenylphosphoranylidene)propanoate, (1-ethoxycarbonylethylidene)triphenylphosphorane, Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate, Propanoic acid, 2-(triphenylphosphoranylidene)-, ethyl ester, (1-ethoxycarbonylethylethylidene)triphenylphosporane
Molecular Formula
C23H23O2P
Molecular Weight
362.4  g/mol
InChI Key
KZENFXVDPUMQOE-UHFFFAOYSA-N

CAS 5717-37-3
1 2D Structure

CAS 5717-37-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-(triphenyl-5-phosphanylidene)propanoate
2.1.2 InChI
InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
2.1.3 InChI Key
KZENFXVDPUMQOE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5717-37-3

2. Ethyl 2-(triphenylphosphoranylidene)propanoate

3. (1-ethoxycarbonylethylidene)triphenylphosphorane

4. Ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate

5. Propanoic Acid, 2-(triphenylphosphoranylidene)-, Ethyl Ester

6. (1-ethoxycarbonylethylethylidene)triphenylphosporane

7. 1-(ethoxycarbonyl)ethylidenetriphenylphosphorane

8. Mfcd00009160

9. (carbethoxyethylidine)triphenylphosphorane

10. 1-carboethoxyethylidenetriphenylphosphorane

11. (1-[ethoxycarbonyl]ethylidene)triphenylphosphoran

12. 21382-82-1

13. Einecs 227-215-4

14. Ethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanoate

15. 2-(triphenyl-phosphanylidene)-propionic Acid Ethyl Ester

16. Ethyl 2-(triphenylphosphoranyl)propanoate

17. (ethoxycarbonylethylidene)triphenylphosphorane

18. Schembl52771

19. Dtxsid20205818

20. Propionic Acid, 2-(triphenylphosphoranylidene)-, Ethyl Ester

21. Bcp11091

22. Nsc76468

23. Str03326

24. 1-ethoxycarbonyl-ethyliden-phosphoran

25. Nsc 76468

26. Nsc-76468

27. Zinc95736198

28. Akos015838783

29. Cs-w020041

30. Jc10160

31. Sb11008

32. (carbethoxyethylidine)triphenyl-phosphorane

33. (1-carbethoxyethylidene)triphenylphosphorane

34. Db-111673

35. Ethyl 2-(triphenylphosphanylidene)propionate

36. C1641

37. Ethyl-2(triphenylphosphoranylidene)propionate

38. Ethyl2-(triphenylphosphoranylidene)propanoate

39. Ft-0607568

40. (carbethoxyethylidene)triphenylphosphorane, 94%

41. (1-ethoxycarbonylethylidene)-triphenylphosphorane

42. (1-ethoxycarbonylethylidene)triphenyl Phosphorane

43. Carbethoxyethylidene Triphenylphosphorane(ceetpp)

44. Triphenyl(1[ethoxycarbonyl]ethylidene)phosphorane

45. (1-ethoxy Carbonylethylidene)triphenyl Phosphorane

46. (alpha-carbethoxy-ethylidene)-triphenyl-phosphorane

47. Triphenyl(1-[ethoxycarbonyl]ethylidene)phosphorane

48. 2-(triphenylphosphonio)-1-oxo-1-ethoxypropan-2-ide

49. Phosphonium, (1-carboxyethyl)triphenyl-, Ethyl Ester-

50. 2-(triphenylphosphoranylidene)propionic Acid Ethyl Ester

51. Propanoic Acid, 2-triphenylphosphoranylidene-, Ethyl Ester

52. Phosphonium, (1-carboxyethyl)triphenyl-, Chloride, Ethyl Ester

53. Propionic Acid, 2- (triphenylphosphoranylidene)-, Ethyl Ester

54. 2-(triphenylphosphoranylidene)-propanoic Acid Ethyl Ester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 362.4 g/mol
Molecular Formula C23H23O2P
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass362.14356697 g/mol
Monoisotopic Mass362.14356697 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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