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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13NO5S2
Molecular Weight 351.397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-(2-(4-(Hydroxy(oxido)amino)phenyl)-2-oxoethyl) 4-methylbenzenesulfonothioate

SMILES

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

InChI

InChIKey=FRBABXARVTUKQJ-UHFFFAOYSA-N
InChI=1S/C15H13NO5S2/c1-11-2-8-14(9-3-11)23(20,21)22-10-15(17)12-4-6-13(7-5-12)16(18)19/h2-9H,10H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H13NO5S2
Molecular Weight 351.397
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 12:40:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:35 GMT 2023
Record UNII
KMK4M4VUX6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-(2-(4-(Hydroxy(oxido)amino)phenyl)-2-oxoethyl) 4-methylbenzenesulfonothioate
Systematic Name English
NSC-140833
Code English
S-[2-(4-Nitrophenyl)-2-oxoethyl] 4-methylbenzenesulfonothioate
Systematic Name English
2-(4-methylphenyl)sulfonylsulfanyl-1-(4-nitrophenyl)ethanone
Systematic Name English
Benzenesulfonothioic acid, 4-methyl-, S-[2-(4-nitrophenyl)-2-oxoethyl] ester
Systematic Name English
Code System Code Type Description
PUBCHEM
284679
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
CAS
31377-99-8
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
NSC
140833
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID80185304
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY
FDA UNII
KMK4M4VUX6
Created by admin on Sat Dec 16 12:40:35 GMT 2023 , Edited by admin on Sat Dec 16 12:40:35 GMT 2023
PRIMARY