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

Details

Stereochemistry RACEMIC
Molecular Formula C8H18O5S2
Molecular Weight 258.356
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-OCTANESULFONIC-2-SULFINIC ACID

SMILES

CCCCCCC(CS(O)(=O)=O)S(O)=O

InChI

InChIKey=JXMDJDMGDMZUQW-UHFFFAOYSA-N
InChI=1S/C8H18O5S2/c1-2-3-4-5-6-8(14(9)10)7-15(11,12)13/h8H,2-7H2,1H3,(H,9,10)(H,11,12,13)

HIDE SMILES / InChI

Molecular Formula C8H18O5S2
Molecular Weight 258.356
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 Mon Mar 31 21:38:21 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:21 GMT 2025
Record UNII
F897F2MMKC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-OCTANESULFONIC ACID, 2-SULFINO-
Preferred Name English
1-OCTANESULFONIC-2-SULFINIC ACID
Common Name English
2-SULFINO-1-OCTANESULFONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
72941653
Created by admin on Mon Mar 31 21:38:21 GMT 2025 , Edited by admin on Mon Mar 31 21:38:21 GMT 2025
PRIMARY
CAS
113652-56-5
Created by admin on Mon Mar 31 21:38:21 GMT 2025 , Edited by admin on Mon Mar 31 21:38:21 GMT 2025
PRIMARY
FDA UNII
F897F2MMKC
Created by admin on Mon Mar 31 21:38:21 GMT 2025 , Edited by admin on Mon Mar 31 21:38:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID501029925
Created by admin on Mon Mar 31 21:38:21 GMT 2025 , Edited by admin on Mon Mar 31 21:38:21 GMT 2025
PRIMARY