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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H6O3S.3H2O
Molecular Weight 370.396
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENESULFONIC ACID SESQUIHYDRATE

SMILES

O.O.O.OS(=O)(=O)C1=CC=CC=C1.OS(=O)(=O)C2=CC=CC=C2

InChI

InChIKey=HYSWQRQDKRNNIU-UHFFFAOYSA-N
InChI=1S/2C6H6O3S.3H2O/c2*7-10(8,9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,7,8,9);3*1H2

HIDE SMILES / InChI

Molecular Formula C6H6O3S
Molecular Weight 158.175
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
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 03:24:19 UTC 2023
Edited
by admin
on Sat Dec 16 03:24:19 UTC 2023
Record UNII
425795DP0Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENESULFONIC ACID SESQUIHYDRATE
MI  
Common Name English
BENZENESULFONIC ACID, HYDRATE (2:3)
Common Name English
BENZENESULFONIC ACID, SESQUIHYDRATE
Common Name English
BENZENESULFONIC ACID 1.5 HYDRATE
Common Name English
BENZENESULFONIC ACID SESQUIHYDRATE [MI]
Common Name English
Code System Code Type Description
CAS
5928-72-3
Created by admin on Sat Dec 16 03:24:19 UTC 2023 , Edited by admin on Sat Dec 16 03:24:19 UTC 2023
PRIMARY
FDA UNII
425795DP0Y
Created by admin on Sat Dec 16 03:24:19 UTC 2023 , Edited by admin on Sat Dec 16 03:24:19 UTC 2023
PRIMARY
MERCK INDEX
m2341
Created by admin on Sat Dec 16 03:24:19 UTC 2023 , Edited by admin on Sat Dec 16 03:24:19 UTC 2023
PRIMARY Merck Index
PUBCHEM
57358281
Created by admin on Sat Dec 16 03:24:19 UTC 2023 , Edited by admin on Sat Dec 16 03:24:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID40974711
Created by admin on Sat Dec 16 03:24:19 UTC 2023 , Edited by admin on Sat Dec 16 03:24:19 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE