KEGG   COMPOUND: C19527Help
Entry
C19527                      Compound                               

Name
Sudan III;
C.I. Solvent Red 23
Formula
C22H16N4O
Exact mass
352.1324
Mol weight
352.3886
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19527  Sudan III
BRITE hierarchy
Other DBs
CAS: 
85-86-9
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    12.7400  -21.9800
            2   C8y C    12.7400  -23.3800
            3   C8x C    13.9524  -24.0800
            4   C8x C    15.1649  -23.3800
            5   C8y C    15.1649  -21.9800
            6   C8x C    13.9524  -21.2800
            7   N2b N    16.4024  -21.2800
            8   N2b N    17.6149  -21.9800
            9   C8y C    18.8273  -21.2800
            10  C8y C    20.0418  -21.9812
            11  C8y C    21.2542  -21.2812
            12  C8x C    21.2542  -19.8812
            13  C8x C    20.0397  -19.1800
            14  C8y C    18.8273  -19.8800
            15  C8x C    20.0418  -23.3812
            16  C8x C    21.2542  -24.0812
            17  C8x C    22.4666  -23.3812
            18  C8x C    22.4666  -21.9812
            19  O1a O    17.6169  -19.1812
            20  N2b N    11.5276  -24.0800
            21  N2b N    10.3321  -23.3896
            22  C8y C     9.1447  -24.0751
            23  C8x C     7.9535  -23.3871
            24  C8x C     6.7410  -24.0869
            25  C8x C     6.7408  -25.4869
            26  C8x C     7.9320  -26.1749
            27  C8x C     9.1445  -25.4751
BOND        30
            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   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   10  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   11  18 1
            21   14  19 1
            22    2  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1

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