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

Details

Stereochemistry RACEMIC
Molecular Formula C4H9ClO4S
Molecular Weight 188.63
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-1-HYDROXY-1-BUTANESULFONIC ACID

SMILES

OC(CCCCl)S(O)(=O)=O

InChI

InChIKey=WEHBFUIMHBXIDH-UHFFFAOYSA-N
InChI=1S/C4H9ClO4S/c5-3-1-2-4(6)10(7,8)9/h4,6H,1-3H2,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula C4H9ClO4S
Molecular Weight 188.63
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:58:18 GMT 2023
Edited
by admin
on Sat Dec 16 13:58:18 GMT 2023
Record UNII
HB8YHQ2GBY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-1-HYDROXY-1-BUTANESULFONIC ACID
Systematic Name English
1-BUTANESULFONIC ACID, 4-CHLORO-1-HYDROXY-
Systematic Name English
Code System Code Type Description
CAS
54476-52-7
Created by admin on Sat Dec 16 13:58:18 GMT 2023 , Edited by admin on Sat Dec 16 13:58:18 GMT 2023
PRIMARY
PUBCHEM
11745396
Created by admin on Sat Dec 16 13:58:18 GMT 2023 , Edited by admin on Sat Dec 16 13:58:18 GMT 2023
PRIMARY
FDA UNII
HB8YHQ2GBY
Created by admin on Sat Dec 16 13:58:18 GMT 2023 , Edited by admin on Sat Dec 16 13:58:18 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT