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Details

Stereochemistry ACHIRAL
Molecular Formula C14H7NO3S
Molecular Weight 269.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-OXO-9H-THIOXANTHENE-3-CARBONITRILE 10,10-DIOXIDE

SMILES

O=C1C2=CC=CC=C2S(=O)(=O)C3=CC(=CC=C13)C#N

InChI

InChIKey=KFTPXAFBDZWJNK-UHFFFAOYSA-N
InChI=1S/C14H7NO3S/c15-8-9-5-6-11-13(7-9)19(17,18)12-4-2-1-3-10(12)14(11)16/h1-7H

HIDE SMILES / InChI

Molecular Formula C14H7NO3S
Molecular Weight 269.275
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 Tue Apr 01 17:48:06 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:06 GMT 2025
Record UNII
ZMP3H9ZR6Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CYANOTHIOXANTHONE 10,10-DIOXIDE
Preferred Name English
9-OXO-9H-THIOXANTHENE-3-CARBONITRILE 10,10-DIOXIDE
Systematic Name English
9H-THIOXANTHENE-3-CARBONITRILE, 9-OXO-, 10,10-DIOXIDE
Systematic Name English
Code System Code Type Description
CAS
51762-94-8
Created by admin on Tue Apr 01 17:48:06 GMT 2025 , Edited by admin on Tue Apr 01 17:48:06 GMT 2025
PRIMARY
PUBCHEM
103957
Created by admin on Tue Apr 01 17:48:06 GMT 2025 , Edited by admin on Tue Apr 01 17:48:06 GMT 2025
PRIMARY
FDA UNII
ZMP3H9ZR6Z
Created by admin on Tue Apr 01 17:48:06 GMT 2025 , Edited by admin on Tue Apr 01 17:48:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID10199691
Created by admin on Tue Apr 01 17:48:06 GMT 2025 , Edited by admin on Tue Apr 01 17:48:06 GMT 2025
PRIMARY
CHEMBL
144722
Created by admin on Tue Apr 01 17:48:06 GMT 2025 , Edited by admin on Tue Apr 01 17:48:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
257-396-5
Created by admin on Tue Apr 01 17:48:06 GMT 2025 , Edited by admin on Tue Apr 01 17:48:06 GMT 2025
PRIMARY