KEGG   COMPOUND: C03822
Entry
C03822                      Compound                               
Name
2,6-Dichlorophenolindophenol sodium salt;
2,6-Dichloroindophenol sodium salt
Formula
C12H6Cl2NO2. Na
Exact mass
288.9673
Mol weight
290.0773
Structure
Other DBs
CAS: 620-45-1
PubChem: 6565
ChEBI: 948
NIKKAJI: J9.444G
LinkDB
KCF data

ATOM        18
            1   C2y C    25.2550  -17.7022
            2   N2b N    26.4669  -18.3988
            3   C2x C    24.0430  -18.3988
            4   C2x C    25.2550  -16.3029
            5   C8y C    27.6789  -17.6962
            6   C2y C    22.8252  -17.7022
            7   C2y C    24.0430  -15.6004
            8   C8x C    28.8849  -18.3988
            9   C8x C    27.6672  -16.3029
            10  C5x C    22.8252  -16.3029
            11  X   Cl   21.6132  -18.4047
            12  X   Cl   24.0430  -14.2010
            13  C8x C    30.0968  -17.6962
            14  C8x C    28.8849  -15.6004
            15  O5x O    21.6132  -15.6004
            16  C8y C    30.0968  -16.2970
            17  O1a O    31.3088  -15.5944 #-
            18  Z   Na   28.6331  -13.6799 #+
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 2
            15   13  16 2
            16   16  17 1
            17    7  10 1
            18   14  16 1

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