U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H7ClO6S
Molecular Weight 278.666
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(CHLOROSULFONYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-5-CARBOXYLIC ACID

SMILES

OC(=O)C1=C2OCCOC2=CC(=C1)S(Cl)(=O)=O

InChI

InChIKey=NCSFGFOXYGSSSH-UHFFFAOYSA-N
InChI=1S/C9H7ClO6S/c10-17(13,14)5-3-6(9(11)12)8-7(4-5)15-1-2-16-8/h3-4H,1-2H2,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H7ClO6S
Molecular Weight 278.666
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 13:13:54 GMT 2023
Edited
by admin
on Sat Dec 16 13:13:54 GMT 2023
Record UNII
BZM6SPD7SV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(CHLOROSULFONYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-5-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
266-345-6
Created by admin on Sat Dec 16 13:13:54 GMT 2023 , Edited by admin on Sat Dec 16 13:13:54 GMT 2023
PRIMARY
PUBCHEM
6455316
Created by admin on Sat Dec 16 13:13:54 GMT 2023 , Edited by admin on Sat Dec 16 13:13:54 GMT 2023
PRIMARY
CAS
66410-36-4
Created by admin on Sat Dec 16 13:13:54 GMT 2023 , Edited by admin on Sat Dec 16 13:13:54 GMT 2023
PRIMARY
FDA UNII
BZM6SPD7SV
Created by admin on Sat Dec 16 13:13:54 GMT 2023 , Edited by admin on Sat Dec 16 13:13:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID70216631
Created by admin on Sat Dec 16 13:13:54 GMT 2023 , Edited by admin on Sat Dec 16 13:13:54 GMT 2023
PRIMARY