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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO5S
Molecular Weight 251.644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Chloro-5-nitrotoluene-3-sulfonic acid

SMILES

CC1=C(Cl)C(=CC(=C1)S(O)(=O)=O)[N+]([O-])=O

InChI

InChIKey=OJTXHPQIEJMIJY-UHFFFAOYSA-N
InChI=1S/C7H6ClNO5S/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11/h2-3H,1H3,(H,12,13,14)

HIDE SMILES / InChI

Molecular Formula C7H6ClNO5S
Molecular Weight 251.644
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 Sat Dec 16 12:25:43 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:43 GMT 2023
Record UNII
G69C32YP54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Chloro-5-nitrotoluene-3-sulfonic acid
Systematic Name English
4-Chloro-3-methyl-5-nitrobenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
202-545-1
Created by admin on Sat Dec 16 12:25:43 GMT 2023 , Edited by admin on Sat Dec 16 12:25:43 GMT 2023
PRIMARY
CAS
96-92-4
Created by admin on Sat Dec 16 12:25:43 GMT 2023 , Edited by admin on Sat Dec 16 12:25:43 GMT 2023
PRIMARY
PUBCHEM
66792
Created by admin on Sat Dec 16 12:25:43 GMT 2023 , Edited by admin on Sat Dec 16 12:25:43 GMT 2023
PRIMARY
FDA UNII
G69C32YP54
Created by admin on Sat Dec 16 12:25:43 GMT 2023 , Edited by admin on Sat Dec 16 12:25:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID10242075
Created by admin on Sat Dec 16 12:25:43 GMT 2023 , Edited by admin on Sat Dec 16 12:25:43 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT