KEGG   COMPOUND: C19372
Entry
C19372                      Compound                               
Name
CI Orange G;
C.I. Orange G
Formula
C16H10N2O7S2. 2Na
Exact mass
451.9725
Mol weight
452.3693
Structure
Other DBs
CAS: 1936-15-8
PubChem: 124490044
ChEBI: 82427
KCF data

ATOM        29
            1   C8y C    27.2883  -15.4529
            2   C8y C    27.2883  -14.0543
            3   C8x C    28.4771  -13.3550
            4   C8x C    29.7358  -14.0543
            5   C8y C    29.7358  -15.4529
            6   C8y C    28.4771  -16.1522
            7   C8x C    30.9246  -16.1522
            8   C8y C    30.9246  -17.5508
            9   C8x C    29.7358  -18.2501
            10  C8y C    28.4771  -17.5508
            11  N2b N    26.0994  -16.1522
            12  N2b N    24.8407  -15.4529
            13  C8y C    23.6519  -16.1522
            14  C8x C    23.6519  -17.5508
            15  C8x C    22.4631  -18.2501
            16  C8x C    21.2043  -17.5508
            17  C8x C    21.2043  -16.1522
            18  C8x C    22.4631  -15.4529
            19  O1a O    26.0994  -13.3550
            20  S4a S    27.2883  -18.2501
            21  O1d O    26.0295  -18.9494 #-
            22  O1d O    27.9876  -19.4389
            23  O1d O    26.5890  -17.0613
            24  S4a S    32.1135  -18.2501
            25  O1d O    33.3722  -18.9494 #-
            26  O1d O    31.4142  -19.4389
            27  O1d O    32.8128  -17.0613
            28  Z   Na   35.3303  -19.1592 #+
            29  Z   Na   24.0715  -19.9984 #+
BOND        29
            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 2
            9     8   9 1
            10    9  10 2
            11    6  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21    2  19 1
            22   10  20 1
            23   20  21 1
            24   20  22 2
            25   20  23 2
            26    8  24 1
            27   24  25 1
            28   24  26 2
            29   24  27 2

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
All databases (3)   

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