Phosphonium, [10-oxo-10-[4-(3-thioxo-3H-1,2-dithiol-5-yl)phenoxy]decyl]triphe...
C37H38O2PS3.Br
1429061-80-2 Copyright (C) 2025 ACS
 44 47  0  0  0  0  0  0  0  0999 V2000
    4.0012    5.5412    0.0000 P   0  3  0  0  0  4  0  0  0  0  0  0
    5.3348    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6718    4.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    7.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9756    8.2083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    7.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    8.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2311    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7710    6.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111    6.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7710    9.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0811    8.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3111    9.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    7.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    5.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6730    7.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0067    7.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1677    9.3828    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.4136    7.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6741    9.7031    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.4441    8.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9878    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  1 27  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
  7  8  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
 11 13  2  0  0  0  0
 12 33  1  0  0  0  0
 14 43  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  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
M  CHG  2   1   1  44  -1
M  END
> <cas.rn>
1429061-80-2

> <ca.index.name>
Phosphonium, [10-oxo-10-[4-(3-thioxo-3H-1,2-dithiol-5-yl)phenoxy]decyl]triphenyl-, bromide (1:1)

> <molecular.formula>
C37H38O2PS3.Br

> <smiles.canonical>
[Br-].O=C(OC=1C=CC(=CC1)C=2SSC(=S)C2)CCCCCCCCC[P+](C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC=CC5

> <molecular.weight>
721.77

$$$$
