KEGG   COMPOUND: C11023
Entry
C11023                      Compound                               
Name
O-Ethyl-O-(5-methyl-4-nitrophenyl)(1-methylpropyl)phosphoramidothioate
Formula
C13H21N2O4PS
Exact mass
332.096
Mol weight
332.3556
Structure
Comment
Butamifos's isomer
Other DBs
PubChem: 13206
ChEBI: 7683
NIKKAJI: J2.784.117A
LinkDB
KCF data

ATOM        21
            1   C8x C    31.6240  -19.8402
            2   C8x C    31.6227  -21.2464
            3   C8y C    30.4049  -21.9493
            4   C8y C    29.1954  -21.2459
            5   C8x C    29.1908  -19.8433
            6   C8y C    30.4015  -19.1406
            7   C1a C    27.9893  -21.9486
            8   O2b O    30.4091  -17.7414
            9   P1a P    29.1990  -17.0379
            10  N1b N    27.9874  -17.7336
            11  C1c C    26.7746  -17.0399
            12  C1b C    25.5629  -17.7356
            13  C1a C    24.3527  -17.0325
            14  C1a C    26.7130  -15.6337
            15  O2b O    29.1979  -15.6485
            16  C1b C    30.4095  -14.9527
            17  C1a C    31.6293  -15.6393
            18  S0  S    29.1591  -18.4454
            19  N2b N    30.3949  -23.3475 #+
            20  O3a O    29.0442  -24.3237 #-
            21  O3a O    31.6032  -24.0476
BOND        21
            1     5   6 1
            2     8   9 1
            3     6   1 2
            4     9  10 1
            5    10  11 1
            6    11  12 1
            7     1   2 1
            8    12  13 1
            9    11  14 1
            10    2   3 2
            11    9  15 1
            12   15  16 1
            13    3   4 1
            14   16  17 1
            15    4   7 1
            16    9  18 2
            17    4   5 2
            18    6   8 1
            19   19  20 1
            20   19  21 2
            21    3  19 1

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