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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O2S
Molecular Weight 166.197
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,1-BENZOXATHIAN-4-ONE

SMILES

O=C1OCSC2=C1C=CC=C2

InChI

InChIKey=DMHIXXWAEUHFBS-UHFFFAOYSA-N
InChI=1S/C8H6O2S/c9-8-6-3-1-2-4-7(6)11-5-10-8/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6O2S
Molecular Weight 166.197
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 12:40:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:40:30 GMT 2023
Record UNII
8T473X1HA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,1-BENZOXATHIAN-4-ONE
Systematic Name English
BENZOIC ACID, O-((HYDROXYMETHYL)THIO)-, .GAMMA.-LACTONE
Systematic Name English
NSC-58104
Code English
4H-3,1-BENZOXATHIIN-4-ONE
Systematic Name English
BENZOIC ACID, 2-((HYDROXYMETHYL)THIO)-, .DELTA.-LACTONE
Systematic Name English
BENZOIC ACID, O-((HYDROXYMETHYL)THIO)-, .DELTA.-LACTONE
Systematic Name English
Code System Code Type Description
PUBCHEM
245821
Created by admin on Sat Dec 16 12:40:30 GMT 2023 , Edited by admin on Sat Dec 16 12:40:30 GMT 2023
PRIMARY
NSC
58104
Created by admin on Sat Dec 16 12:40:30 GMT 2023 , Edited by admin on Sat Dec 16 12:40:30 GMT 2023
PRIMARY
CAS
5651-33-2
Created by admin on Sat Dec 16 12:40:30 GMT 2023 , Edited by admin on Sat Dec 16 12:40:30 GMT 2023
PRIMARY
FDA UNII
8T473X1HA4
Created by admin on Sat Dec 16 12:40:30 GMT 2023 , Edited by admin on Sat Dec 16 12:40:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID00205053
Created by admin on Sat Dec 16 12:40:30 GMT 2023 , Edited by admin on Sat Dec 16 12:40:30 GMT 2023
PRIMARY