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2-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]ethanesulfonic acid
2-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]ethanesulfonic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C(F)(F)F)SCCS(=O)(=O)O
Isomeric SMILES
C1=CC=C2C(=C1)N=C(C3=NN=C(N23)C(F)(F)F)SCCS(=O)(=O)O
InChI
InChI=1S/C12H9F3N4O3S2/c13-12(14,15)11-18-17-9-10(23-5-6-24(20,21)22)16-7-3-1-2-4-8(7)19(9)11/h1-4H,5-6H2,(H,20,21,22)
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