Sodium 3,5-dichloro-2-hydroxybenzenesulfonate
C6H4Cl2O4S.Na
54970-72-8 Copyright (C) 2025 ACS
 14 13  0  0  0  0  0  0  0  0999 V2000
    1.3338    6.1601    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    0.5638    4.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    7.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    6.1601    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3343    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <cas.rn>
54970-72-8

> <ca.index.name>
Benzenesulfonic acid, 3,5-dichloro-2-hydroxy-, sodium salt (1:1)

> <molecular.formula>
C6H4Cl2O4S.Na

> <smiles.canonical>
[Na].O=S(=O)(O)C=1C=C(Cl)C=C(Cl)C1O

> <molecular.weight>
266.06

$$$$
