KEGG   COMPOUND: C10943Help
Entry
C10943                      Compound                               

Name
Chlorimuron-ethyl;
Chlorimuron ethyl
Formula
C15H15ClN4O6S
Exact mass
414.0401
Mol weight
414.8208
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Sulfonylurea herbicides
    C10943  Chlorimuron-ethyl
BRITE hierarchy
Other DBs
CAS: 90982-32-4
PubChem: 13126
ChEBI: 47319
ChEMBL: CHEMBL1231791
PDB-CCD: CIE[PDBj]
NIKKAJI: J372.959A
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    34.4400  -15.4700
            2   C8x C    34.4400  -16.8700
            3   C8x C    33.2500  -17.5700
            4   C8y C    32.0600  -16.8700
            5   C8y C    32.0600  -15.4700
            6   C8x C    33.2500  -14.7700
            7   C7a C    30.8000  -14.7700
            8   O7a O    29.6100  -15.4700
            9   O6a O    30.8000  -13.3000
            10  C1b C    28.4200  -14.7700
            11  C1a C    27.2300  -15.4700
            12  C8y C    25.9700  -18.0600
            13  N5x N    25.9700  -19.4600
            14  C8y C    24.7800  -20.1600
            15  C8x C    23.5900  -19.4600
            16  C8y C    23.5900  -18.0600
            17  N5x N    24.7800  -17.3600
            18  X   Cl   22.3300  -17.3600
            19  O2a O    24.7800  -21.5600
            20  C1a C    23.5900  -22.2600
            21  N1b N    29.6100  -17.3600
            22  C5a C    28.4200  -18.0600
            23  N1b N    27.1600  -17.3600
            24  O5a O    28.4200  -19.4600
            25  S4a S    30.8000  -18.0600
            26  O3c O    31.8500  -19.1100
            27  O3c O    29.8200  -19.1100
BOND        28
            1     4   5 1
            2     7   9 2
            3    12  13 2
            4    13  14 1
            5    14  15 2
            6    15  16 1
            7    16  17 2
            8    17  12 1
            9     5   6 2
            10   16  18 1
            11    6   1 1
            12   14  19 1
            13   19  20 1
            14    8  10 1
            15    5   7 1
            16   21  22 1
            17   10  11 1
            18   22  23 1
            19   23  12 1
            20    1   2 2
            21   22  24 2
            22    7   8 1
            23   21  25 1
            24   25   4 1
            25    2   3 1
            26   25  26 2
            27    3   4 2
            28   25  27 2

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