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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H7O5S.Na
Molecular Weight 190.15
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 1,4-DIHYDROXY-2-BUTENE-2-SULFONATE

SMILES

[Na+].OC\C=C(\CO)S([O-])(=O)=O

InChI

InChIKey=ABCMRFDMEWGWOG-DVMYDDKCSA-M
InChI=1S/C4H8O5S.Na/c5-2-1-4(3-6)10(7,8)9;/h1,5-6H,2-3H2,(H,7,8,9);/q;+1/p-1/b4-1-;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H7O5S
Molecular Weight 167.16
Charge -1
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 18:37:53 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:53 GMT 2023
Record UNII
K984P9E8NC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM 1,4-DIHYDROXY-2-BUTENE-2-SULFONATE
Systematic Name English
2-BUTENE-2-SULFONIC ACID, 1,4-DIHYDROXY-, SODIUM SALT (1:1)
Systematic Name English
SODIUM 1,4-DIHYDROXY-2-BUTENE-2-SULPHONATE
Systematic Name English
2-BUTENE-2-SULFONIC ACID, 1,4-DIHYDROXY-, MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
23695353
Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023
PRIMARY
FDA UNII
K984P9E8NC
Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-062-5
Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023
PRIMARY
CAS
4187-71-7
Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID2063343
Created by admin on Sat Dec 16 18:37:53 GMT 2023 , Edited by admin on Sat Dec 16 18:37:53 GMT 2023
PRIMARY