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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6O4S
Molecular Weight 186.185
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-FORMYLBENZENESULFONIC ACID

SMILES

OS(=O)(=O)C1=CC(C=O)=CC=C1

InChI

InChIKey=MRXZEDMLQMDMGB-UHFFFAOYSA-N
InChI=1S/C7H6O4S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-5H,(H,9,10,11)

HIDE SMILES / InChI

Molecular Formula C7H6O4S
Molecular Weight 186.185
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 11:26:17 GMT 2023
Edited
by admin
on Sat Dec 16 11:26:17 GMT 2023
Record UNII
4PB54HE80G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-FORMYLBENZENESULFONIC ACID
Systematic Name English
M-FORMYLBENZENESULFONIC ACID
Systematic Name English
BENZALDEHYDE-3-SULFONIC ACID
Systematic Name English
M-SULFOBENZALDEHYDE
Systematic Name English
BENZENESULFONIC ACID, 3-FORMYL-
Systematic Name English
3-SULFOBENZALDEHYDE
Systematic Name English
Code System Code Type Description
FDA UNII
4PB54HE80G
Created by admin on Sat Dec 16 11:26:17 GMT 2023 , Edited by admin on Sat Dec 16 11:26:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID601018993
Created by admin on Sat Dec 16 11:26:17 GMT 2023 , Edited by admin on Sat Dec 16 11:26:17 GMT 2023
PRIMARY
CAS
98-45-3
Created by admin on Sat Dec 16 11:26:17 GMT 2023 , Edited by admin on Sat Dec 16 11:26:17 GMT 2023
PRIMARY
PUBCHEM
104693
Created by admin on Sat Dec 16 11:26:17 GMT 2023 , Edited by admin on Sat Dec 16 11:26:17 GMT 2023
PRIMARY