KEGG   DRUG: Phenolsulfonic acid
Entry
D01403                      Drug                                   
Name
Phenolsulfonic acid (JAN);
p-Phenolsulfonic acid
Formula
C6H6O4S
Exact mass
173.9987
Mol weight
174.1744
Structure
Simcomp
Remark
Same as: C12849
Efficacy
Solvent
Other DBs
CAS: 98-67-9
PubChem: 7848466
ChEBI: 32354
LigandBox: D01403
NIKKAJI: J4.956E
KCF data

ATOM        11
            1   C8x C    50.3066  -18.7177
            2   C8x C    50.3066  -20.1152
            3   C8y C    51.5199  -20.8140
            4   C8x C    52.7259  -20.1152
            5   C8x C    52.7259  -18.7177
            6   C8y C    51.5199  -18.0189
            7   S4a S    51.5216  -16.6213
            8   O1d O    51.5135  -15.2238
            9   O1d O    52.9182  -16.6213
            10  O1d O    50.1230  -16.6213
            11  O1a O    51.5217  -22.1900
BOND        11
            1     6   1 1
            2     6   7 1
            3     7   8 1
            4     1   2 2
            5     7   9 2
            6     2   3 1
            7     7  10 2
            8     3   4 2
            9     4   5 1
            10    5   6 2
            11    3  11 1

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Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (6)   

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