KEGG   COMPOUND: C11159
Entry
C11159                      Compound                               
Name
Tiron;
1,2-Dihydroxybenzene-3,5-disulfonic acid disodium salt
Formula
C6H4O8S2. 2Na
Exact mass
313.9143
Mol weight
314.2007
Structure
Other DBs
CAS: 149-45-1
PubChem: 13341
ChEBI: 9607
NIKKAJI: J5.849A
LinkDB
KCF data

ATOM        18
            1   C8x C    24.9704  -20.5012
            2   C8y C    24.9704  -21.9023
            3   C8y C    26.1805  -22.6063
            4   C8y C    27.3904  -21.9023
            5   C8x C    27.3904  -20.5012
            6   C8y C    26.1805  -19.8043
            7   O1a O    23.7524  -22.5994
            8   O1a O    26.1671  -24.0072
            9   S4a S    26.1671  -18.4034
            10  S4a S    28.5959  -22.6063
            11  O1d O    26.1602  -17.0024 #-
            12  O1d O    27.5680  -18.4034
            13  O1d O    24.7661  -18.4034
            14  O1d O    29.2436  -21.3602
            15  O1d O    28.0186  -23.8804
            16  O1d O    29.8420  -23.2399 #-
            17  Z   Na   29.9513  -17.3209 #+
            18  Z   Na   32.3693  -22.6908 #+
BOND        16
            1     3   8 1
            2     6   9 1
            3     1   2 2
            4     4  10 1
            5     2   3 1
            6     9  11 1
            7     3   4 2
            8     9  12 2
            9     4   5 1
            10    9  13 2
            11    5   6 2
            12   10  14 2
            13    6   1 1
            14   10  15 2
            15   10  16 1
            16    2   7 1

» Japanese version

DBGET integrated database retrieval system