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ChEBI
> Main
CHEBI:83780 - (
S
)-tebuconazole
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ChEBI Name
(
S
)-tebuconazole
ChEBI ID
CHEBI:83780
ChEBI ASCII Name
(S)-tebuconazole
Definition
The (
S
)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1
H
-1,2,4-triazol-1-ylmethyl)pentan-3-ol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H22ClN3O
Net Charge
0
Average Mass
307.81800
Monoisotopic Mass
307.14514
InChI
InChI=1S/C16H22ClN3O/c1-
15(2,3)
16(21,10-
20-
12-
18-
11-
19-
20)
9-
8-
13-
4-
6-
14(17)
7-
5-
13/h4-
7,11-
12,21H,8-
10H2,1-
3H3/t16-
/m1/s1
InChIKey
PXMNMQRDXWABCY-MRXNPFEDSA-N
SMILES
CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)Cn1cncn1
ChEBI Ontology
Outgoing
(
S
)-tebuconazole (
CHEBI:83780
)
is a
1-(4-chlorophenyl)-4,4-dimethyl-3-(1
H
-1,2,4-triazol-1-ylmethyl)pentan-3-ol (
CHEBI:83779
)
(
S
)-tebuconazole (
CHEBI:83780
)
is enantiomer of
(
R
)-tebuconazole (
CHEBI:83781
)
Incoming
tebuconazole (
CHEBI:81781
)
has part
(
S
)-tebuconazole (
CHEBI:83780
)
(
R
)-tebuconazole (
CHEBI:83781
)
is enantiomer of
(
S
)-tebuconazole (
CHEBI:83780
)
IUPAC Name
(3
S
)-1-(4-chlorophenyl)-4,4-dimethyl-3-(1
H
-1,2,4-triazol-1-ylmethyl)pentan-3-ol
Registry Number
Type
Source
5749276
Reaxys Registry Number
Reaxys
Last Modified
17 November 2014