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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16Cl2F3NO5S
Molecular Weight 450.257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 5,7-dichloro-6-(((trifluoromethyl)sulfonyl)oxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate

SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(Cl)C(OS(=O)(=O)C(F)(F)F)=C2Cl

InChI

InChIKey=HTCDWDOPCPUOFY-UHFFFAOYSA-N
InChI=1S/C15H16Cl2F3NO5S/c1-14(2,3)25-13(22)21-5-4-9-8(7-21)6-10(16)12(11(9)17)26-27(23,24)15(18,19)20/h6H,4-5,7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
tert-Butyl 5,7-dichloro-6-(((trifluoromethyl)sulfonyl)oxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Systematic Name English
2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
Systematic Name English
1,1-Dimethylethyl 5,7-dichloro-3,4-dihydro-6-[[(trifluoromethyl)sulfonyl]oxy]-2(1H)-isoquinolinecarboxylate
Systematic Name English
Code System Code Type Description
PUBCHEM
89952336
Created by admin on Sat Dec 16 19:12:17 GMT 2023 , Edited by admin on Sat Dec 16 19:12:17 GMT 2023
PRIMARY
FDA UNII
742FGD7JS3
Created by admin on Sat Dec 16 19:12:17 GMT 2023 , Edited by admin on Sat Dec 16 19:12:17 GMT 2023
PRIMARY
CAS
851784-78-6
Created by admin on Sat Dec 16 19:12:17 GMT 2023 , Edited by admin on Sat Dec 16 19:12:17 GMT 2023
PRIMARY
NIH
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