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IT-11

PropertiesImage
MNX_IDMNXM527558 Image of MNXM527558
referenceenvipathM:...25d4908835ee
formulaC13H14FN5O6S2
global charge0
mol weight419.416
InChIKeyLEIMSWOWULCTBZ-UHFFFAOYSA-N
InChIInChI=1S/C13H14FN5O6S2/c1-13(21)11(20)9-5-4-8(14)6-10(9)19(13)26(22,23)12-15-7-18(16-12)27(24,25)17(2)3/h4-7,21H,1-3H3
SMILESCN(C)S(=O)(=O)N1C=NC(S(=O)(=O)N2C3=CC(F)=CC=C3C(=O)C2(C)O)=N1
MNX internals
InChI (mnx)InChI=1/C13H14FN5O6S2/c1-13(21)11(20)9-5-4-8(14)6-10(9)19(13)26(22,23)12-15-7-18(16-12)27(24,25)17(2)3/h4-7,21H,1-3H3/t13? Image of MNXM527558
SMILES (mnx)[CH3:1][C:13]1([OH:21])[C:11](=[O:20])[C:9]2=[C:10]([CH:6]=[C:8]([F:14])[CH:4]=[CH:5]2)[N:19]1[S:26]([C:12]1=[N:16][N:18]([S:27]([N:17]([CH3:2])[CH3:3])(=[O:24])=[O:25])[CH:7]=[N:15]1)(=[O:22])=[O:23]
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

envipath:...1f8710fe17f8
envipathM:...1f8710fe17f8
envipath:...25d4908835ee
envipathM:...25d4908835ee
LEIMSWOWULCTBZ-UHFFFAOYSA-N 		IT-11