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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12N2O5S
Molecular Weight 308.31
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Nitro-2-p-toluidinobenzenesulfonic acid

SMILES

CC1=CC=C(NC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C=C1

InChI

InChIKey=IXEBWGZZXCGASZ-UHFFFAOYSA-N
InChI=1S/C13H12N2O5S/c1-9-2-4-10(5-3-9)14-12-7-6-11(15(16)17)8-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C13H12N2O5S
Molecular Weight 308.31
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 12:07:38 GMT 2023
Edited
by admin
on Sat Dec 16 12:07:38 GMT 2023
Record UNII
CX35T6538W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Nitro-2-p-toluidinobenzenesulfonic acid
Common Name English
Benzenesulfonic acid, 2-[(4-methylphenyl)amino]-5-nitro-
Systematic Name English
2-[(4-Methylphenyl)amino]-5-nitrobenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 5-nitro-2-p-toluidino-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
202-056-3
Created by admin on Sat Dec 16 12:07:39 GMT 2023 , Edited by admin on Sat Dec 16 12:07:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID90238350
Created by admin on Sat Dec 16 12:07:39 GMT 2023 , Edited by admin on Sat Dec 16 12:07:39 GMT 2023
PRIMARY
CAS
91-28-1
Created by admin on Sat Dec 16 12:07:39 GMT 2023 , Edited by admin on Sat Dec 16 12:07:39 GMT 2023
PRIMARY
PUBCHEM
66669
Created by admin on Sat Dec 16 12:07:39 GMT 2023 , Edited by admin on Sat Dec 16 12:07:39 GMT 2023
PRIMARY
FDA UNII
CX35T6538W
Created by admin on Sat Dec 16 12:07:39 GMT 2023 , Edited by admin on Sat Dec 16 12:07:39 GMT 2023
PRIMARY