Marvin  11141214142D          

 11 11  0  0  0  0            999 V2000
    9.7874   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7874   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5018   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5018   -9.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5018   -6.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3269   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6768   -6.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5018   -6.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9308   -9.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <ID>
CHEBI:71047

> <NAME>
3-hydroxybenzenesulfonic acid

> <DEFINITION>
An arenesulfonic acid that is phenol substituted by a sulfo group at C-3.

> <STAR>
3

> <SYNONYM>
phenol-3-sulfonic acid; m-phenolsulfonic acid; m-hydroxybenzenesulfonic acid

> <IUPAC_NAME>
3-hydroxybenzenesulfonic acid

> <FORMULA>
C6H6O4S

> <MASS>
174.17400

> <MONOISOTOPIC_MASS>
173.99868

> <CHARGE>
0

> <SMILES>
Oc1cccc(c1)S(O)(=O)=O

> <INCHI>
InChI=1S/C6H6O4S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4,7H,(H,8,9,10)

> <INCHIKEY>
ZCLXQTGLKVQKFD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
585-38-6

> <REAXYS_REGISTRY_NUMBER>
2209483

> <CHEMIDPLUS>
585-38-6

> <PUBMED_CITATION>
22770225

$$$$