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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8ClNO7S
Molecular Weight 309.68
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-chlorosulfonyl-2-methoxy-4-nitrobenzoate

SMILES

COC(=O)C1=C(OC)C=C(C(=C1)S(Cl)(=O)=O)[N+]([O-])=O

InChI

InChIKey=AJOMRGMKCWMDNP-UHFFFAOYSA-N
InChI=1S/C9H8ClNO7S/c1-17-7-4-6(11(13)14)8(19(10,15)16)3-5(7)9(12)18-2/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H8ClNO7S
Molecular Weight 309.68
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 Wed Apr 02 19:39:55 GMT 2025
Edited
by admin
on Wed Apr 02 19:39:55 GMT 2025
Record UNII
DZ6DM6W88Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-chlorosulfonyl-2-methoxy-4-nitrobenzoate
Systematic Name English
Benzoic acid, 5-(chlorosulfonyl)-2-methoxy-4-nitro-, methyl ester
Preferred Name English
Methyl 5-(chlorosulfonyl)-4-nitro-o-anisic
Systematic Name English
Code System Code Type Description
PUBCHEM
56843670
Created by admin on Wed Apr 02 19:39:55 GMT 2025 , Edited by admin on Wed Apr 02 19:39:55 GMT 2025
PRIMARY
FDA UNII
DZ6DM6W88Z
Created by admin on Wed Apr 02 19:39:55 GMT 2025 , Edited by admin on Wed Apr 02 19:39:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID40917628
Created by admin on Wed Apr 02 19:39:55 GMT 2025 , Edited by admin on Wed Apr 02 19:39:55 GMT 2025
PRIMARY
CAS
93839-80-6
Created by admin on Wed Apr 02 19:39:55 GMT 2025 , Edited by admin on Wed Apr 02 19:39:55 GMT 2025
PRIMARY