KEGG   COMPOUND: C18504Help
Entry
C18504                      Compound                               

Name
Isoxaben
Formula
C18H24N2O4
Exact mass
332.1736
Mol weight
332.3942
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Herbicides
   Amide herbicides
    C18504  Isoxaben
BRITE hierarchy
Other DBs
CAS: 82558-50-7
PubChem: 124489178
ChEBI: 63956
ChEMBL: CHEMBL2142789
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    10.8500  -19.9500
            2   C8x C    10.8500  -21.3500
            3   C8x C    12.0624  -22.0500
            4   C8y C    13.2749  -21.3500
            5   C8y C    13.2749  -19.9500
            6   C8y C    12.0624  -19.2500
            7   C5a C    14.5124  -19.2500
            8   N1b N    15.7249  -19.9500
            9   C8y C    16.9373  -19.2500
            10  O2a O    12.0624  -17.8502
            11  C1a C    10.8332  -17.1403
            12  O2a O    14.5060  -22.0610
            13  C1a C    14.5057  -23.4499
            14  O5a O    14.5186  -17.8503
            15  O2x O    18.0785  -19.8204
            16  N5x N    19.1570  -18.7782
            17  C8y C    18.4557  -17.5636
            18  C8x C    17.0839  -17.8552
            19  C1d C    19.0267  -16.2811
            20  C1b C    20.4288  -16.1335
            21  C1a C    18.2219  -15.1739
            22  C1b C    19.7267  -15.0687
            23  C1a C    21.1399  -15.0689
            24  C1a C    21.2400  -17.2489
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    6  10 1
            11   10  11 1
            12    4  12 1
            13   12  13 1
            14    7  14 2
            15    9  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19    9  18 2
            20   17  19 1
            21   19  20 1
            22   19  21 1
            23   19  22 1
            24   22  23 1
            25   20  24 1

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