5LZ

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


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Chemical Component Summary

Name1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
SynonymsDifenoconazole
Identifiers1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
FormulaC19 H17 Cl2 N3 O3
Molecular Weight406.263
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1CO[C@@](O1)(Cn2cncn2)c3ccc(cc3Cl)Oc4ccc(cc4)Cl
InChIInChI=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-/m1/s1
InChIKeyBQYJATMQXGBDHF-BFUOFWGJSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count2
Bond Count47
Aromatic Bond Count17

Related Resource References

Resource NameReference
PubChem 40559949
CCDC/CSD OROCAB, ASOJID