Hydrogen (T-4)-difluoro[5-[[5-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]-2H-pyrrol-...
C30H34BF2N2O2.H
217075-36-0 Copyright (C) 2024 ACS
 38 40  0  0  0  0  0  0  0  0999 V2000
    4.7035    8.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    8.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356    6.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288    6.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9398    9.3850    0.0000 F   0  5  0  0  0  1  0  0  0  0  0  0
    8.8763    9.7966    0.0000 F   0  5  0  0  0  1  0  0  0  0  0  0
   11.1087   10.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6488   10.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4188    8.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9588    8.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7288    7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2688    7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0388    6.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5788    6.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3488    4.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8888    4.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6589    3.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8888    2.2784    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   24.1989    3.6121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1981   11.2207    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.8779   12.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644   10.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628   10.7448    0.0000 B   0  1  0  0  0  4  0  0  0  0  0  0
    7.0225   13.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3464   12.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7201   11.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8072   11.7752    0.0000 N   0  5  0  0  0  3  0  0  0  0  0  0
    8.4870   13.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3387   11.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8207   14.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   13.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677    4.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    3.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609    3.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0994    0.0000    0.0000 H   0  3  0  0  0 15  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 32  1  0  0  0  0
  5 23  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
M  CHG  6   5  -1   6  -1  18  -1  23   3  27  -1  38   1
M  END
> <cas.rn>
217075-36-0

> <cas.index.name>
Borate(1-), difluoro[5-[[5-[(1E,3E)-4-phenyl-1,3-butadien-1-yl]-2H-pyrrol-2-ylidene-κN]methyl]-1H-pyrrole-2-undecanoato(2-)-κN1]-, hydrogen (1:1), (T-4)-

> <molecular.formula>
C30H34BF2N2O2.H

> <molecular.weight>
504.42

$$$$
