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Details

Stereochemistry ACHIRAL
Molecular Formula C24H20N4O7S2
Molecular Weight 540.568
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-Nitro-4-(anilinosulfonyl)anilino)-2-anilinobenzenesulfonic acid

SMILES

OS(=O)(=O)C1=CC(NC2=CC=C(C=C2[N+]([O-])=O)S(=O)(=O)NC3=CC=CC=C3)=CC=C1NC4=CC=CC=C4

InChI

InChIKey=SACDZYZLZGGBFR-UHFFFAOYSA-N
InChI=1S/C24H20N4O7S2/c29-28(30)23-16-20(36(31,32)27-18-9-5-2-6-10-18)12-14-21(23)26-19-11-13-22(24(15-19)37(33,34)35)25-17-7-3-1-4-8-17/h1-16,25-27H,(H,33,34,35)

HIDE SMILES / InChI

Molecular Formula C24H20N4O7S2
Molecular Weight 540.568
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 18:38:09 GMT 2025
Edited
by admin
on Tue Apr 01 18:38:09 GMT 2025
Record UNII
CR544GMV8L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-Nitro-4-(anilinosulfonyl)anilino)-2-anilinobenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-
Preferred Name English
2-anilino-5-[2-nitro-4-(phenylsulphamoyl)anilino]benzenesulphonic acid
Systematic Name English
Benzenesulphonic acid, 2-(phenylamino)-5-((2-nitro-4-((phenylamino)sulphonyl)phenyl)amino)-
Systematic Name English
5-(2-Nitro-4-(anilinosulphonyl)anilino)-2-anilinobenzenesulphonic acid
Systematic Name English
Benzenesulfonic acid, 2-(phenylamino)-5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-
Systematic Name English
Benzenesulphonic acid, 5-((2-nitro-4-((phenylamino)sulphonyl)phenyl)amino)-2-(phenylamino)-
Systematic Name English
2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
276-916-1
Created by admin on Tue Apr 01 18:38:09 GMT 2025 , Edited by admin on Tue Apr 01 18:38:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID8072615
Created by admin on Tue Apr 01 18:38:09 GMT 2025 , Edited by admin on Tue Apr 01 18:38:09 GMT 2025
PRIMARY
PUBCHEM
5491134
Created by admin on Tue Apr 01 18:38:09 GMT 2025 , Edited by admin on Tue Apr 01 18:38:09 GMT 2025
PRIMARY
CAS
72829-29-9
Created by admin on Tue Apr 01 18:38:09 GMT 2025 , Edited by admin on Tue Apr 01 18:38:09 GMT 2025
PRIMARY
FDA UNII
CR544GMV8L
Created by admin on Tue Apr 01 18:38:09 GMT 2025 , Edited by admin on Tue Apr 01 18:38:09 GMT 2025
PRIMARY