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tritosulfuron

PropertiesImage
MNX_IDMNXM161955 Image of MNXM161955
referencechebi:83500
formulaC13H9F6N5O4S
global charge0
mol weight445.301
InChIKeyKVEQCVKVIFQSGC-UHFFFAOYSA-N
InChIInChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)
SMILESCOC1=NC(C(F)(F)F)=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F)=N1
MNX internals
InChI (mnx)InChI=1/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25) Image of MNXM161955
SMILES (mnx)[CH3:1][O:28][C:11]1=[N:21][C:8]([C:13]([F:17])([F:18])[F:19])=[N:20][C:9](=[N:22][C:10](=[N:24][S:29]([C:7]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:6]2[C:12]([F:14])([F:15])[F:16])(=[O:26])=[O:27])[OH:25])[NH:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83500
chebi:83500
KVEQCVKVIFQSGC-UHFFFAOYSA-N 		tritosulfuron
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]urea
N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide

envipath:...ac1bfc22aab8
envipathM:...ac1bfc22aab8
KVEQCVKVIFQSGC-UHFFFAOYSA-N 		compound 0048143