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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5ClO4S
Molecular Weight 220.63
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(Chlorosulfonyl)benzoic acid

SMILES

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

InChI

InChIKey=LMRKXSDOAFUINK-UHFFFAOYSA-N
InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H5ClO4S
Molecular Weight 220.63
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 11:58:01 GMT 2023
Edited
by admin
on Sat Dec 16 11:58:01 GMT 2023
Record UNII
4RW5YD52LZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Chlorosulfonyl)benzoic acid
Systematic Name English
3-Carboxyphenylsulfonyl chloride
Systematic Name English
m-Chlorosulfonylbenzoic acid
Systematic Name English
Benzoic acid, 3-(chlorosulfonyl)-
Systematic Name English
NSC-23778
Code English
NSC-44616
Code English
Code System Code Type Description
FDA UNII
4RW5YD52LZ
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY
PUBCHEM
77641
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY
NSC
23778
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-692-8
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID7063269
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY
CAS
4025-64-3
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY
NSC
44616
Created by admin on Sat Dec 16 11:58:01 GMT 2023 , Edited by admin on Sat Dec 16 11:58:01 GMT 2023
PRIMARY