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Details

Stereochemistry ACHIRAL
Molecular Formula C16H9Cl2F4NO4S
Molecular Weight 458.212
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-((DICHLORO(FLUORO)METHYL)SULFANYL-(TRIFLUOROMETHYL)AMINO)BENZOYL)OXYBENZOIC ACID

SMILES

OC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC(=C2)N(SC(F)(Cl)Cl)C(F)(F)F

InChI

InChIKey=NBTXKWRXRYHDFF-UHFFFAOYSA-N
InChI=1S/C16H9Cl2F4NO4S/c17-15(18,19)28-23(16(20,21)22)10-5-3-4-9(8-10)14(26)27-12-7-2-1-6-11(12)13(24)25/h1-8H,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C16H9Cl2F4NO4S
Molecular Weight 458.212
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 11:46:19 GMT 2023
Edited
by admin
on Sat Dec 16 11:46:19 GMT 2023
Record UNII
3F5YBX6H3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-((DICHLORO(FLUORO)METHYL)SULFANYL-(TRIFLUOROMETHYL)AMINO)BENZOYL)OXYBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-((3-(((DICHLOROFLUOROMETHYL)THIO)(TRIFLUOROMETHYL)AMINO)BENZOYL)OXY)-
Systematic Name English
2-((3-(((DICHLOROFLUOROMETHYL)THIO)(TRIFLUOROMETHYL)AMINO)BENZOYL)OXY)BENZOIC ACID
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
250-058-8
Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023
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PUBCHEM
3015492
Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID90184202
Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023
PRIMARY
CAS
30119-19-8
Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023
PRIMARY
FDA UNII
3F5YBX6H3J
Created by admin on Sat Dec 16 11:46:19 GMT 2023 , Edited by admin on Sat Dec 16 11:46:19 GMT 2023
PRIMARY