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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO3S2
Molecular Weight 297.393
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Methylthio)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt

SMILES

CSC1=[N+](CCCS([O-])(=O)=O)C2=C(C=CC=C2)C=C1

InChI

InChIKey=WMDSVEWSDJCYTK-UHFFFAOYSA-N
InChI=1S/C13H15NO3S2/c1-18-13-8-7-11-5-2-3-6-12(11)14(13)9-4-10-19(15,16)17/h2-3,5-8H,4,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H15NO3S2
Molecular Weight 297.393
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 12:27:46 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:46 GMT 2023
Record UNII
J3VF8L4BCG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Methylthio)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt
Common Name English
Quinolinium, 2-(methylthio)-1-(3-sulfopropyl)-, hydroxide, inner salt
Systematic Name English
Quinolinium, 2-(methylthio)-1-(3-sulfopropyl)-, inner salt
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2071312
Created by admin on Sat Dec 16 12:27:46 GMT 2023 , Edited by admin on Sat Dec 16 12:27:46 GMT 2023
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CAS
68239-09-8
Created by admin on Sat Dec 16 12:27:46 GMT 2023 , Edited by admin on Sat Dec 16 12:27:46 GMT 2023
PRIMARY
PUBCHEM
109880
Created by admin on Sat Dec 16 12:27:46 GMT 2023 , Edited by admin on Sat Dec 16 12:27:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-422-2
Created by admin on Sat Dec 16 12:27:46 GMT 2023 , Edited by admin on Sat Dec 16 12:27:46 GMT 2023
PRIMARY
FDA UNII
J3VF8L4BCG
Created by admin on Sat Dec 16 12:27:46 GMT 2023 , Edited by admin on Sat Dec 16 12:27:46 GMT 2023
PRIMARY