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ChEBI
> Main
CHEBI:83995 - (
S
)-penconazole
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ChEBI Name
(
S
)-penconazole
ChEBI ID
CHEBI:83995
ChEBI ASCII Name
(S)-penconazole
Definition
A 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole that is the (
S
)-enantiomer of penconazole.
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This entity has been manually annotated by the ChEBI Team.
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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-
/m1/s1
InChIKey
WKBPZYKAUNRMKP-SNVBAGLBSA-N
SMILES
CCC[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl
ChEBI Ontology
Outgoing
(
S
)-penconazole (
CHEBI:83995
)
is a
1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole (
CHEBI:83993
)
(
S
)-penconazole (
CHEBI:83995
)
is enantiomer of
(
R
)-penconazole (
CHEBI:83994
)
Incoming
penconazole (
CHEBI:81970
)
has part
(
S
)-penconazole (
CHEBI:83995
)
(
R
)-penconazole (
CHEBI:83994
)
is enantiomer of
(
S
)-penconazole (
CHEBI:83995
)
IUPAC Name
1-[(2
S
)-2-(2,4-dichlorophenyl)pentyl]-1
H
-1,2,4-triazole
Last Modified
04 December 2014