KEGG   COMPOUND: C12849
Entry
C12849                      Compound                               
Name
p-Phenolsulfonic acid;
p-Hydroxybenzenesulfonic acid;
Phenolsulfonic acid;
4-Sulfophenol
Formula
C6H6O4S
Exact mass
173.9987
Mol weight
174.1744
Structure
Remark
Same as: D01403
Other DBs
CAS: 98-67-9
PubChem: 583238
ChEBI: 32354
NIKKAJI: J4.956E
KCF data

ATOM        11
            1   C8x C    30.8700  -17.1500
            2   C8x C    30.8700  -18.5500
            3   C8y C    32.0600  -19.2500
            4   C8x C    33.3200  -18.5500
            5   C8x C    33.3200  -17.1500
            6   C8y C    32.0600  -16.4500
            7   S4a S    32.0600  -15.0500
            8   O1d O    32.0600  -13.6500
            9   O1d O    33.4600  -15.0500
            10  O1d O    30.6600  -15.0500
            11  O1a O    32.0600  -20.6500
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

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
All databases (5)   

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