2-[5-[1-(5-Carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene...
C33H40N2O8S2
146368-11-8 Copyright (C) 2024 ACS
 45 48  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1 30  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
  9 32  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
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 15 37  1  0  0  0  0
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 32 34  1  0  0  0  0
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 35 36  2  0  0  0  0
 37 38  2  0  0  0  0
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 39 41  1  0  0  0  0
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 40 42  2  0  0  0  0
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 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 44 45  2  0  0  0  0
M  CHG  2  27  -1  38   1
M  END
> <cas.rn>
146368-11-8

> <cas.index.name>
3H-Indolium, 2-[5-[1-(5-carboxypentyl)-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>
C33H40N2O8S2

> <molecular.weight>
656.81

> <pka.predicted>
-0.179±0.40    Most Acidic Temp: 25 °C

$$$$
