CTPB (enzyme activator)
C31H43ClF3NO2
586976-24-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  38 39 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 7.7000 9.3358 0.0 0
M  V30 2 N 6.1600 9.3358 0.0 0
M  V30 3 O 8.4700 8.0020 0.0 0
M  V30 4 C 10.7800 9.3358 0.0 0
M  V30 5 C 12.3200 9.3358 0.0 0
M  V30 6 C 13.0900 8.0020 0.0 0
M  V30 7 C 14.6300 8.0020 0.0 0
M  V30 8 C 15.4000 6.6684 0.0 0
M  V30 9 C 16.9400 6.6684 0.0 0
M  V30 10 C 17.7100 5.3347 0.0 0
M  V30 11 C 19.2500 5.3347 0.0 0
M  V30 12 C 20.0200 4.0009 0.0 0
M  V30 13 C 21.5600 4.0009 0.0 0
M  V30 14 C 22.3300 2.6673 0.0 0
M  V30 15 C 23.8700 2.6673 0.0 0
M  V30 16 C 24.6400 1.3336 0.0 0
M  V30 17 C 26.1800 1.3336 0.0 0
M  V30 18 C 26.9500 0.0000 0.0 0
M  V30 19 O 6.1600 12.0031 0.0 0
M  V30 20 C 5.3900 13.3367 0.0 0
M  V30 21 C 3.8500 13.3367 0.0 0
M  V30 22 C 1.5400 6.6684 0.0 0
M  V30 23 F 1.5400 8.2084 0.0 0
M  V30 24 F 0.0000 6.6684 0.0 0
M  V30 25 F 1.5400 5.1284 0.0 0
M  V30 26 Cl 3.0800 4.0011 0.0 0
M  V30 27 C 8.4700 10.6694 0.0 0
M  V30 28 C 10.0100 10.6694 0.0 0
M  V30 29 C 7.7000 12.0031 0.0 0
M  V30 30 C 10.7800 12.0031 0.0 0
M  V30 31 C 8.4700 13.3367 0.0 0
M  V30 32 C 10.0100 13.3367 0.0 0
M  V30 33 C 5.3900 8.0020 0.0 0
M  V30 34 C 3.8500 8.0020 0.0 0
M  V30 35 C 6.1600 6.6684 0.0 0
M  V30 36 C 3.0800 6.6684 0.0 0
M  V30 37 C 5.3900 5.3347 0.0 0
M  V30 38 C 3.8500 5.3347 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 27
M  V30 4 1 2 33
M  V30 5 1 4 5
M  V30 6 1 4 28
M  V30 7 1 5 6
M  V30 8 1 6 7
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 9 10
M  V30 12 1 10 11
M  V30 13 1 11 12
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 14 15
M  V30 17 1 15 16
M  V30 18 1 16 17
M  V30 19 1 17 18
M  V30 20 1 19 20
M  V30 21 1 19 29
M  V30 22 1 20 21
M  V30 23 1 22 23
M  V30 24 1 22 24
M  V30 25 1 22 25
M  V30 26 1 22 36
M  V30 27 1 26 38
M  V30 28 2 27 28
M  V30 29 1 27 29
M  V30 30 1 28 30
M  V30 31 2 29 31
M  V30 32 2 30 32
M  V30 33 1 31 32
M  V30 34 2 33 34
M  V30 35 1 33 35
M  V30 36 1 34 36
M  V30 37 2 35 37
M  V30 38 2 36 38
M  V30 39 1 37 38
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
586976-24-1

> <cas.index.name>
Benzamide, N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-pentadecyl-

> <molecular.formula>
C31H43ClF3NO2

> <molecular.weight>
554.13

> <boiling.point.predicted>
560.7±50.0 °C    Press: 760 Torr

> <density.predicted>
1.104±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.27±0.70    Most Acidic Temp: 25 °C

$$$$
