(Q27455850)

(2R,4S)-Difenoconazole (English)

19 October 2016

stereoisomer of

(2S,4R)-difenoconazole

2 references

inferred from InChIKey

inferred from InChI

(2R,4R)-difenoconazole

2 references

inferred from InChIKey

1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₁₉H₁₇Cl₂N₃O₃

1 reference

(2R,4S)-Difenoconazole (English)

19 October 2016

canonical SMILES

CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl

1 reference

(2R,4S)-Difenoconazole (English)

19 October 2016

isomeric SMILES

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

1 reference

(2R,4S)-Difenoconazole (English)

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

19 October 2016

Identifiers

InChI

1 reference

(2R,4S)-Difenoconazole (English)

19 October 2016

1 reference

(2R,4S)-Difenoconazole (English)

19 October 2016

0 references

1 reference

1-({(2R,4S)-2-[2-Chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole (English)

19 October 2016

2 references

(2R,4S)-Difenoconazole (English)

19 October 2016

SureChEMBL ID

SCHEMBL22126

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID401323776

0 references

UNII

29W19N22RZ

1 reference

Z6451L1Z11

1 reference

0 references

1 reference

5EAH (English)