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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16ClF3N2O3S
Molecular Weight 384.802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Chloro-1-ethyl-2-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-1H-benzimidazolium

SMILES

CCN1C2=CC(Cl)=C(C=C2[N+](CCCS([O-])(=O)=O)=C1C)C(F)(F)F

InChI

InChIKey=FDUCVSFKFRCLCP-UHFFFAOYSA-N
InChI=1S/C14H16ClF3N2O3S/c1-3-19-9(2)20(5-4-6-24(21,22)23)12-7-10(14(16,17)18)11(15)8-13(12)19/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
6-Chloro-1-ethyl-2-methyl-3-(3-sulfonatopropyl)-5-(trifluoromethyl)-1H-benzimidazolium
Systematic Name English
1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-162-3
Created by admin on Sat Dec 16 20:11:43 GMT 2023 , Edited by admin on Sat Dec 16 20:11:43 GMT 2023
PRIMARY
CAS
30377-68-5
Created by admin on Sat Dec 16 20:11:43 GMT 2023 , Edited by admin on Sat Dec 16 20:11:43 GMT 2023
PRIMARY
PUBCHEM
3035340
Created by admin on Sat Dec 16 20:11:43 GMT 2023 , Edited by admin on Sat Dec 16 20:11:43 GMT 2023
PRIMARY
FDA UNII
G8XMQ283Y8
Created by admin on Sat Dec 16 20:11:43 GMT 2023 , Edited by admin on Sat Dec 16 20:11:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID0067551
Created by admin on Sat Dec 16 20:11:43 GMT 2023 , Edited by admin on Sat Dec 16 20:11:43 GMT 2023
PRIMARY
NIH
NCATS
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