CHEBI:83994 - (R)-penconazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-penconazole
ChEBI ID CHEBI:83994
ChEBI ASCII Name (R)-penconazole
Definition A 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole that is the (R)-enantiomer of penconazole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H15Cl2N3
Net Charge 0
Average Mass 284.18400
Monoisotopic Mass 283.06430
InChI InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3/t10-/m0/s1
InChIKey WKBPZYKAUNRMKP-JTQLQIEISA-N
SMILES CCC[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl
ChEBI Ontology
Outgoing (R)-penconazole (CHEBI:83994) is a 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole (CHEBI:83993)
(R)-penconazole (CHEBI:83994) is enantiomer of (S)-penconazole (CHEBI:83995)
Incoming penconazole (CHEBI:81970) has part (R)-penconazole (CHEBI:83994)
(S)-penconazole (CHEBI:83995) is enantiomer of (R)-penconazole (CHEBI:83994)
IUPAC Name
1-[(2R)-2-(2,4-dichlorophenyl)pentyl]-1H-1,2,4-triazole
Last Modified
04 December 2014