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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4ClNO6S
Molecular Weight 253.617
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-4-hydroxy-5-nitrobenzenesulphonic acid

SMILES

OC1=C(C=C(C=C1Cl)S(O)(=O)=O)[N+]([O-])=O

InChI

InChIKey=VMHPZSMLWXYABA-UHFFFAOYSA-N
InChI=1S/C6H4ClNO6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C6H4ClNO6S
Molecular Weight 253.617
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:30:23 GMT 2025
Edited
by admin
on Tue Apr 01 19:30:23 GMT 2025
Record UNII
A3NE9XGR2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Chloro-4-hydroxy-5-nitrobenzenesulphonic acid
Systematic Name English
3-Chloro-4-hydroxy-5-nitrobenzene-1-sulfonic acid
Preferred Name English
Benzenesulfonic acid, 3-chloro-4-hydroxy-5-nitro-
Systematic Name English
Code System Code Type Description
PUBCHEM
3019238
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
FDA UNII
A3NE9XGR2T
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
ECHA (EC/EINECS)
280-610-3
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
CAS
83732-61-0
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID50232591
Created by admin on Tue Apr 01 19:30:23 GMT 2025 , Edited by admin on Tue Apr 01 19:30:23 GMT 2025
PRIMARY
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