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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO5S
Molecular Weight 241.221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(isocyanatosulfonyl)benzoate

SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N=C=O

InChI

InChIKey=HVQWYKPSNHGIDD-UHFFFAOYSA-N
InChI=1S/C9H7NO5S/c1-15-9(12)7-4-2-3-5-8(7)16(13,14)10-6-11/h2-5H,1H3

HIDE SMILES / InChI

Molecular Formula C9H7NO5S
Molecular Weight 241.221
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 12:33:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:33:41 GMT 2023
Record UNII
NYK86J2JNA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2-(isocyanatosulfonyl)benzoate
Systematic Name English
(2-Carbomethoxyphenyl)sulfonyl isocyanate
Common Name English
Benzoic acid, 2-(isocyanatosulfonyl)-, methyl ester
Systematic Name English
2-(Carbomethoxy)benzenesulfonyl isocyanate
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
277-779-0
Created by admin on Sat Dec 16 12:33:41 GMT 2023 , Edited by admin on Sat Dec 16 12:33:41 GMT 2023
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PUBCHEM
156281
Created by admin on Sat Dec 16 12:33:41 GMT 2023 , Edited by admin on Sat Dec 16 12:33:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID3073630
Created by admin on Sat Dec 16 12:33:41 GMT 2023 , Edited by admin on Sat Dec 16 12:33:41 GMT 2023
PRIMARY
CAS
74222-95-0
Created by admin on Sat Dec 16 12:33:41 GMT 2023 , Edited by admin on Sat Dec 16 12:33:41 GMT 2023
PRIMARY
FDA UNII
NYK86J2JNA
Created by admin on Sat Dec 16 12:33:41 GMT 2023 , Edited by admin on Sat Dec 16 12:33:41 GMT 2023
PRIMARY