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2D Structure
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

1 2D Structure

2D Structure

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