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Details

Stereochemistry ACHIRAL
Molecular Formula C15H19NO6S
Molecular Weight 341.379
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6,12,15-TETRAOXA-9-THIA-21-AZABICYCLO(15.3.1)HENICOSA-1(21),17,19-TRIENE-2,16-DIONE

SMILES

O=C1OCCOCCSCCOCCOC(=O)C2=NC1=CC=C2

InChI

InChIKey=XZVXEPBFNJQKEI-UHFFFAOYSA-N
InChI=1S/C15H19NO6S/c17-14-12-2-1-3-13(16-12)15(18)22-7-5-20-9-11-23-10-8-19-4-6-21-14/h1-3H,4-11H2

HIDE SMILES / InChI

Molecular Formula C15H19NO6S
Molecular Weight 341.379
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 12:56:29 GMT 2023
Edited
by admin
on Sat Dec 16 12:56:29 GMT 2023
Record UNII
QJ9QH7WYF5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,6,12,15-TETRAOXA-9-THIA-21-AZABICYCLO(15.3.1)HENICOSA-1(21),17,19-TRIENE-2,16-DIONE
Systematic Name English
3,6,12,15-TETRAOXA-9-THIA-21-AZABICYCLO(15.3.1)HENEICOSA-1(21),17,19-TRIENE-2,16-DIONE
Systematic Name English
NSC-297843
Code English
Code System Code Type Description
NSC
297843
Created by admin on Sat Dec 16 12:56:29 GMT 2023 , Edited by admin on Sat Dec 16 12:56:29 GMT 2023
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EPA CompTox
DTXSID80218560
Created by admin on Sat Dec 16 12:56:29 GMT 2023 , Edited by admin on Sat Dec 16 12:56:29 GMT 2023
PRIMARY
FDA UNII
QJ9QH7WYF5
Created by admin on Sat Dec 16 12:56:29 GMT 2023 , Edited by admin on Sat Dec 16 12:56:29 GMT 2023
PRIMARY
CAS
68436-50-0
Created by admin on Sat Dec 16 12:56:29 GMT 2023 , Edited by admin on Sat Dec 16 12:56:29 GMT 2023
PRIMARY
PUBCHEM
326422
Created by admin on Sat Dec 16 12:56:29 GMT 2023 , Edited by admin on Sat Dec 16 12:56:29 GMT 2023
PRIMARY