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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H17Cl2N3O3
Molecular Weight 406.263
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFENOCONAZOLE, (2R,4S)-

SMILES

C[C@H]1CO[C@@](CN2C=NC=N2)(O1)C3=C(Cl)C=C(OC4=CC=C(Cl)C=C4)C=C3

InChI

InChIKey=BQYJATMQXGBDHF-DJJJIMSYSA-N
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H17Cl2N3O3
Molecular Weight 406.263
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:08 GMT 2023
Record UNII
29W19N22RZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFENOCONAZOLE, (2R,4S)-
Common Name English
(2R,4S)-DIFENOCONAZOLE
Common Name English
1H-1,2,4-TRIAZOLE, 1-(((2R,4S)-2-(2-CHLORO-4-(4-CHLOROPHENOXY)PHENYL)-4-METHYL-1,3-DIOXOLAN-2-YL)METHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
29W19N22RZ
Created by admin on Sat Dec 16 10:06:08 GMT 2023 , Edited by admin on Sat Dec 16 10:06:08 GMT 2023
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CAS
1161016-86-9
Created by admin on Sat Dec 16 10:06:08 GMT 2023 , Edited by admin on Sat Dec 16 10:06:08 GMT 2023
PRIMARY
PUBCHEM
22866495
Created by admin on Sat Dec 16 10:06:08 GMT 2023 , Edited by admin on Sat Dec 16 10:06:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID40893751
Created by admin on Sat Dec 16 10:06:08 GMT 2023 , Edited by admin on Sat Dec 16 10:06:08 GMT 2023
PRIMARY