Sodium 3,5-chloro-6-hydroxybenzenesulfonate(54970-72-8) Raman
Product NameSodium 3,5-chloro-6-hydroxybenzenesulfonate
CAS54970-72-8
Molecular FormulaC6H3Cl2NaO4S
Molecular Weight265.05
InChIInChI=1S/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);/q;+1/p-1
InChIKey NMWCVZCSJHJYFW-UHFFFAOYSA-M
SmilesC1(S([O-])(=O)=O)C=C(C=C(Cl)C=1O)Cl.[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H3 Cl2 Na O4 S 0.032 g : 0.5 ml DMSO-d6 3,5-dichloro-2-hydroxybenzenesulfonic acid sodium salt 
Assign. Shift(ppm)
A 11.70 B 7.561 C 7.418
Hz ppm Int.4424.57 11.072 604 3023.16 7.565 772 3020.60 7.559 847 2970.04 7.432 30 2965.83 7.422 1000 2963.27 7.415 917 2959.42 7.406 29
in DMSO-d6
D2O
KBr disc
nujol mull
