KEGG   COMPOUND: C19531Help
Entry
C19531                      Compound                               

Name
Sunset Yellow FCF;
C.I. Food Yellow 3;
Food yellow No.5
Formula
C16H10N2O7S2. 2Na
Exact mass
451.9725
Mol weight
452.3693
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19531  Sunset Yellow FCF
BRITE hierarchy
Other DBs
CAS: 
2783-94-0
PubChem: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    10.0800  -16.1700
            2   C8y C    10.0800  -17.5700
            3   C8x C    11.2924  -18.2700
            4   C8x C    12.5049  -17.5700
            5   C8y C    12.5049  -16.1700
            6   C8x C    11.2924  -15.4700
            7   N2b N    13.7424  -15.4700
            8   N2b N    14.9549  -16.1700
            9   C8y C    16.1673  -15.4700
            10  C8y C    17.3818  -16.1712
            11  C8y C    18.5942  -15.4712
            12  C8x C    18.5942  -14.0712
            13  C8x C    17.3797  -13.3700
            14  C8y C    16.1673  -14.0700
            15  C8x C    17.3818  -17.5712
            16  C8x C    18.5942  -18.2712
            17  C8y C    19.8066  -17.5712
            18  C8x C    19.8066  -16.1712
            19  O1a O    14.9569  -13.3712
            20  S4a S    21.0211  -18.2723
            21  O1d O    22.2335  -18.9723 #-
            22  O1d O    20.3170  -19.4921
            23  O1d O    21.7167  -17.0673
            24  S4a S     8.8676  -18.2700
            25  O1d O     7.5851  -18.9700 #-
            26  O1d O     8.0616  -17.1414
            27  O1d O     9.6887  -19.4198
            28  Z   Na    5.3200  -19.1100 #+
            29  Z   Na   24.2900  -18.7600 #+
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   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   17  20 1
            23   20  21 1
            24   20  22 2
            25   20  23 2
            26    2  24 1
            27   24  25 1
            28   24  26 2
            29   24  27 2

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