KEGG   COMPOUND: C19439Help
Entry
C19439                      Compound                               

Name
Light green SF;
C.I. Acid green 5
Formula
C37H35N2O9S3. 2Na
Exact mass
793.13
Mol weight
793.8563
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19439  Light Green SF
BRITE hierarchy
Other DBs
CAS: 
5141-20-8
PubChem: 
ChEBI: 
LinkDB All DBs
KCF data Show

ATOM        53
            1   C2x C    20.5549  -19.4600
            2   C2y C    20.5549  -18.0600
            3   C2c C    21.7924  -17.3600
            4   C8y C    23.0049  -18.0600
            5   C8x C    23.0049  -19.4598
            6   C8x C    24.2173  -20.1598
            7   C8y C    25.4297  -19.4598
            8   C8x C    25.4297  -18.0600
            9   C8x C    24.2173  -17.3600
            10  C8y C    21.7924  -15.9600
            11  C2x C    19.3425  -17.3600
            12  C2x C    18.1300  -18.0600
            13  C2y C    18.1300  -19.4600
            14  C2x C    19.3425  -20.1600
            15  C8x C    22.9879  -15.2696
            16  C8x C    22.9878  -13.8696
            17  C8y C    21.7753  -13.1697
            18  C8x C    20.5797  -13.8601
            19  C8x C    20.5799  -15.2601
            20  S4a S    21.7752  -11.7600
            21  O1d O    21.7752  -10.3600 #-
            22  O1d O    20.3700  -11.7600
            23  O1d O    23.1700  -11.7600
            24  N2b N    16.9176  -20.1600 #+
            25  C1b C    15.7051  -19.4600
            26  C8y C    14.4927  -20.1600
            27  C1b C    16.9176  -21.5598
            28  C1a C    18.1468  -22.2697
            29  N1c N    26.6224  -20.1600
            30  C1b C    27.8349  -19.4600
            31  C8y C    29.0473  -20.1600
            32  C1b C    26.6174  -21.5599
            33  C1a C    25.3893  -22.2631
            34  C8x C    13.2782  -19.4588
            35  C8y C    12.0658  -20.1588
            36  C8x C    12.0658  -21.5588
            37  C8x C    13.2803  -22.2600
            38  C8x C    14.4927  -21.5600
            39  C8x C    29.0473  -21.5600
            40  C8x C    30.2597  -22.2600
            41  C8x C    31.4722  -21.5600
            42  C8y C    31.4722  -20.1600
            43  C8x C    30.2597  -19.4600
            44  S4a S    10.8347  -19.4478
            45  O1d O     9.6223  -18.7478 #-
            46  O1d O    11.5333  -18.2381
            47  O1d O    10.1332  -20.6626
            48  S4a S    32.6846  -19.4600
            49  O1d O    33.8971  -18.7600
            50  O1d O    31.9860  -18.2499
            51  O1d O    33.3860  -20.6748
            52  Z   Na    7.1400  -18.5500 #+
            53  Z   Na   21.3500   -8.1900 #+
BOND        55
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     4   9 1
            10    3  10 1
            11    2  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14   1 2
            16   10  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   10  19 1
            22   17  20 1
            23   20  21 1
            24   20  22 2
            25   20  23 2
            26   13  24 2
            27   24  25 1
            28   25  26 1
            29   24  27 1
            30   27  28 1
            31    7  29 1
            32   29  30 1
            33   30  31 1
            34   29  32 1
            35   32  33 1
            36   26  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   26  38 1
            42   31  39 2
            43   39  40 1
            44   40  41 2
            45   41  42 1
            46   42  43 2
            47   31  43 1
            48   35  44 1
            49   44  45 1
            50   44  46 2
            51   44  47 2
            52   42  48 1
            53   48  49 1
            54   48  50 2
            55   48  51 2

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