2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3...
C40H44N12O10S2
4404-43-7 Copyright (C) 2023 ACS
 64 69  0  0  0  0  0  0  0  0999 V2000
    4.0012   11.5503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   13.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6675   13.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0045    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3383    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6720    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.3405   11.5503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 29  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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 63 64  1  0  0  0  0
M  END
> <cas.rn>
4404-43-7

> <cas.index.name>
Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-

> <molecular.formula>
C40H44N12O10S2

> <molecular.weight>
916.99

> <density.predicted>
1.598±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-1.28±0.50    Most Acidic Temp: 25 °C

$$$$
