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Details

Stereochemistry ACHIRAL
Molecular Formula C23H17FN4O9S3
Molecular Weight 608.596
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(((5-HYDROXY-6-(2-(2-(METHYLSULFONYL)-4-NITROPHENYL)DIAZENYL)-1-NAPHTHALENYL)AMINO)SULFONYL)BENZENESULFONYL FLUORIDE

SMILES

CS(=O)(=O)C1=CC(=CC=C1\N=N\C2=C(O)C3=CC=CC(NS(=O)(=O)C4=CC(=CC=C4)S(F)(=O)=O)=C3C=C2)[N+]([O-])=O

InChI

InChIKey=XLIIXVCJFYLNTH-OCEACIFDSA-N
InChI=1S/C23H17FN4O9S3/c1-38(32,33)22-12-14(28(30)31)8-10-20(22)25-26-21-11-9-17-18(23(21)29)6-3-7-19(17)27-40(36,37)16-5-2-4-15(13-16)39(24,34)35/h2-13,27,29H,1H3/b26-25+

HIDE SMILES / InChI

Molecular Formula C23H17FN4O9S3
Molecular Weight 608.596
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:58:24 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:24 GMT 2023
Record UNII
NT7V5M1WZ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((5-HYDROXY-6-(2-(2-(METHYLSULFONYL)-4-NITROPHENYL)DIAZENYL)-1-NAPHTHALENYL)AMINO)SULFONYL)BENZENESULFONYL FLUORIDE
Systematic Name English
BENZENESULFONYL FLUORIDE, 3-(((5-HYDROXY-6-((2-(METHYLSULFONYL)-4-NITROPHENYL)AZO)-1-NAPHTHALENYL)AMINO)SULFONYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5070280
Created by admin on Sat Dec 16 11:58:24 GMT 2023 , Edited by admin on Sat Dec 16 11:58:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
265-625-5
Created by admin on Sat Dec 16 11:58:24 GMT 2023 , Edited by admin on Sat Dec 16 11:58:24 GMT 2023
PRIMARY
FDA UNII
NT7V5M1WZ5
Created by admin on Sat Dec 16 11:58:24 GMT 2023 , Edited by admin on Sat Dec 16 11:58:24 GMT 2023
PRIMARY
CAS
65208-24-4
Created by admin on Sat Dec 16 11:58:24 GMT 2023 , Edited by admin on Sat Dec 16 11:58:24 GMT 2023
PRIMARY