Cy 5 NHS Ester
C37H43N3O10S2
146368-14-1 Copyright (C) 2025 ACS
 52 56  0  0  0  0  0  0  0  0999 V2000
    9.3109    9.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    8.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5260    7.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7411    5.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2766    4.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564    3.1864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321    5.7233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379   14.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4169   12.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3717   10.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3717    8.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7053    8.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7053    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0389    5.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2906   15.7851    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    7.6243   16.5551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   15.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5206   17.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3891    9.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7093   10.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0254    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0095    4.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    5.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9211    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6600    8.4976    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   22.6600    6.9576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6600   10.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2000    8.4976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6006   11.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3706   13.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6311   10.6395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606   11.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8769   12.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6006   14.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379   11.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2906   13.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606   14.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3726    6.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5337    8.1774    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
   17.7795    6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0400    8.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8100    7.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8100    9.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3500    7.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3500    9.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1200    8.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    2.7106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 48  1  0  0  0  0
  9 34  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  2  3  0  0  0
 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
 14 15  2  3  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 41  1  0  0  0  0
 24 49  2  0  0  0  0
 25 50  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 47  2  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 51 52  1  0  0  0  0
M  CHG  2  29  -1  40   1
M  END
> <cas.rn>
146368-14-1

> <cas.index.name>
3H-Indolium, 2-[5-[1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt

> <molecular.formula>
C37H43N3O10S2

> <molecular.weight>
753.89

> <pka.predicted>
-0.180±0.40    Most Acidic Temp: 25 °C

$$$$
