KEGG   COMPOUND: C16412Help
Entry
C16412                      Compound                               

Name
2,4',6,6'-Tetranitro-2',4-azoxytoluene
Formula
C14H10N6O9
Exact mass
406.0509
Mol weight
406.264
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00633  Nitrotoluene degradation
Other DBs
CAS: 51856-71-4
PubChem: 47205710
ChEBI: 80487
NIKKAJI: J697.739A
LinkDB All DBs
KCF data Show

ATOM        29
            1   N2b N    28.5757  -24.7936 #+
            2   N2b N    29.9765  -24.7936
            3   C8y C    30.6768  -26.0543
            4   C8y C    27.8753  -23.6030
            5   C8x C    29.9765  -27.2450
            6   C8y C    30.6768  -28.4356
            7   C8x C    32.0776  -28.4356
            8   C8y C    32.7780  -27.2450
            9   C8y C    32.0776  -26.0543
            10  C8x C    28.5757  -22.4123
            11  C8y C    27.8753  -21.2216
            12  C8y C    26.4745  -21.2216
            13  C8y C    25.7741  -22.4123
            14  C8x C    26.4745  -23.6030
            15  N2b N    28.5757  -19.9610 #+
            16  N2b N    24.3734  -22.4123 #+
            17  N2b N    34.1788  -27.2450 #+
            18  N2b N    29.9765  -29.6963 #+
            19  O3a O    27.8753  -26.0543 #-
            20  O3a O    28.5757  -29.6963
            21  O3a O    34.8791  -26.0543
            22  O3a O    29.9765  -19.9610
            23  O3a O    23.6730  -23.6030
            24  O3a O    23.6730  -21.1516 #-
            25  O3a O    27.8753  -18.7703 #-
            26  O3a O    34.8791  -28.5056 #-
            27  O3a O    30.6768  -30.8870 #-
            28  C1a C    32.7745  -24.8360
            29  C1a C    25.7709  -19.9913
BOND        30
            1     1   2 2
            2     2   3 1
            3     1   4 1
            4     3   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     3   9 1
            10    4  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    4  14 1
            16   11  15 1
            17   13  16 1
            18    8  17 1
            19    6  18 1
            20    1  19 1
            21   18  20 2
            22   17  21 2
            23   15  22 2
            24   16  23 2
            25   16  24 1
            26   15  25 1
            27   17  26 1
            28   18  27 1
            29    9  28 1
            30   12  29 1

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