KEGG   COMPOUND: C14078Help
Entry
C14078                      Compound                               

Name
Congo red;
Direct red 28;
Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate
Formula
C32H22N6O6S2. 2Na
Exact mass
696.0838
Mol weight
696.6632
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 573-58-0
PubChem: 854315
ChEBI: 34653
NIKKAJI: J6.549H
LinkDB All DBs
KCF data Show

ATOM        48
            1   C8y C    24.0130  -18.9263
            2   C8x C    24.7132  -20.1399
            3   C8x C    26.1135  -20.1403
            4   C8y C    26.8140  -18.9279
            5   C8x C    26.1139  -17.7142
            6   C8x C    24.7136  -17.7138
            7   C8y C    28.2138  -18.9283
            8   C8x C    28.9128  -20.1397
            9   C8x C    30.3130  -20.1402
            10  C8y C    31.0135  -18.9277
            11  C8x C    30.3147  -17.7163
            12  C8x C    28.9144  -17.7158
            13  N2b N    32.4146  -18.9281
            14  N2b N    33.8130  -18.9251
            15  C8y C    35.2132  -18.9251
            16  C8x C    35.9133  -20.1377
            17  C8y C    37.3134  -20.1377
            18  C8y C    38.0135  -18.9251
            19  C8y C    37.3134  -17.7125
            20  C8y C    35.9133  -17.7125
            21  C8x C    39.4136  -18.9251
            22  C8x C    40.1138  -17.7125
            23  C8x C    39.4136  -16.5000
            24  C8x C    38.0135  -16.5000
            25  N1a N    35.2128  -16.4993
            26  S4a S    38.0139  -21.3509
            27  N2b N    22.6117  -18.9251
            28  N2b N    21.2115  -18.9251
            29  C8y C    19.8113  -18.9251
            30  C8y C    19.1113  -17.7125
            31  C8y C    17.7111  -17.7125
            32  C8y C    17.0110  -18.9251
            33  C8y C    17.7111  -20.1377
            34  C8x C    19.1113  -20.1377
            35  C8x C    17.0110  -16.5000
            36  C8x C    15.6109  -16.5000
            37  C8x C    14.9108  -17.7125
            38  C8x C    15.6109  -18.9251
            39  N1a N    19.8117  -16.4993
            40  S4a S    17.0106  -21.3509
            41  O1d O    39.4148  -21.3509 #-
            42  O1d O    37.3132  -22.5646
            43  O1d O    38.7150  -22.5653
            44  O1d O    16.0317  -22.3311
            45  O1d O    17.7124  -22.5664 #-
            46  O1d O    16.3121  -20.1410
            47  Z   Na   19.0191  -22.5674 #+
            48  Z   Na   41.0971  -21.3538 #+
BOND        51
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   19  24 1
            28   20  25 1
            29   17  26 1
            30    1  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   31  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   32  38 1
            44   30  39 1
            45   33  40 1
            46   26  41 1
            47   26  42 2
            48   26  43 2
            49   40  44 2
            50   40  45 1
            51   40  46 2

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