KEGG   COMPOUND: C18754Help
Entry
C18754                      Compound                               

Name
Captafol
Formula
C10H9Cl4NO2S
Exact mass
346.9108
Mol weight
349.061
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Fungicides
   Dicarboximide fungicides
    C18754  Captafol
Carcinogens [BR:br08008]
 Group 2A: Probably carcinogenic to humans
  Compounds
   C18754  Captafol
BRITE hierarchy
Other DBs
CAS: 2425-06-1
PubChem: 124489428
ChEBI: 81938
ChEMBL: CHEMBL1893263
LinkDB All DBs
KCF data Show

ATOM        18
            1   C2x C    15.2600  -16.9400
            2   C2x C    15.2600  -18.3400
            3   C1x C    16.4724  -19.0400
            4   C1y C    17.6849  -18.3400
            5   C1y C    17.6849  -16.9400
            6   C1x C    16.4724  -16.2400
            7   C5x C    19.0164  -18.7726
            8   N1y N    19.8393  -17.6400
            9   C5x C    19.0164  -16.5074
            10  O5x O    19.4475  -15.1806
            11  O5x O    19.4475  -20.0994
            12  S2a S    21.2100  -17.6400
            13  C1d C    22.6100  -17.6400
            14  X   Cl   22.6100  -16.2400
            15  X   Cl   22.6100  -19.0400
            16  C1c C    24.0100  -17.6400
            17  X   Cl   24.7100  -18.8524
            18  X   Cl   24.7100  -16.4276
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 2
            12    7  11 2
            13    8  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 1
            17   13  16 1
            18   16  17 1
            19   16  18 1

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