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Details

Stereochemistry ACHIRAL
Molecular Formula C16H8O6S
Molecular Weight 328.296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-4-(5-HYDROXY-2-OXO-1,3-BENZOXATHIOL-7-YL)-2H-CHROMEN-2-ONE

SMILES

OC1=CC(=C2OC(=O)SC2=C1)C3=C(O)C(=O)OC4=CC=CC=C34

InChI

InChIKey=ACDAKXSLYROHEG-UHFFFAOYSA-N
InChI=1S/C16H8O6S/c17-7-5-9(14-11(6-7)23-16(20)22-14)12-8-3-1-2-4-10(8)21-15(19)13(12)18/h1-6,17-18H

HIDE SMILES / InChI

Molecular Formula C16H8O6S
Molecular Weight 328.296
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 12:39:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:00 GMT 2023
Record UNII
9V55DJH53Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-4-(5-HYDROXY-2-OXO-1,3-BENZOXATHIOL-7-YL)-2H-CHROMEN-2-ONE
Systematic Name English
2H-1-Benzopyran-2-one, 3-hydroxy-4-(5-hydroxy-2-oxo-1,3-benzoxathiol-7-yl)-
Systematic Name English
NSC-338610
Code English
5-hydroxy-7-(3-hydroxy-2-oxochromen-4-yl)-1,3-benzoxathiol-2-one
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20993243
Created by admin on Sat Dec 16 12:39:00 GMT 2023 , Edited by admin on Sat Dec 16 12:39:00 GMT 2023
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NSC
338610
Created by admin on Sat Dec 16 12:39:00 GMT 2023 , Edited by admin on Sat Dec 16 12:39:00 GMT 2023
PRIMARY
FDA UNII
9V55DJH53Z
Created by admin on Sat Dec 16 12:39:00 GMT 2023 , Edited by admin on Sat Dec 16 12:39:00 GMT 2023
PRIMARY
CAS
72430-96-7
Created by admin on Sat Dec 16 12:39:00 GMT 2023 , Edited by admin on Sat Dec 16 12:39:00 GMT 2023
PRIMARY
PUBCHEM
334218
Created by admin on Sat Dec 16 12:39:00 GMT 2023 , Edited by admin on Sat Dec 16 12:39:00 GMT 2023
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