(E)-[7-nitro-3-oxidanyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-ylidene]-nitroso-methanol

Systemtic Name: (E)-[7-nitro-3-oxidanyl-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-ylidene]-nitroso-methanol Openeye Name: (E)-[3-hydroxy-7-nitro-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-ylidene]-nitroso-methanol CAS Name: (E)-[3-hydroxy-7-nitro-5-(trifluoromethylthio)-1,3-benzothiazol-2-ylidene]-nitrosomethanol IUPAC Name: (E)-[3-hydroxy-7-nitro-5-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-ylidene]-nitrosomethanol Traditional Name: (E)-[3-hydroxy-7-nitro-5-(trifluoromethylthio)-1,3-benzothiazol-2-ylidene]-nitroso-methanol Formula: C9H4F3N3O5S2 MolecularWeight: 355.27037

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1[N+](=O)[O-])SC(=C(N=O)O)N2O)SC(F)(F)F

Isomeric SMILES

C1=C(C=C2C(=C1[N+](=O)[O-])S/C(=C(\N=O)/O)/N2O)SC(F)(F)F

InChI

InChI=1S/C9H4F3N3O5S2/c10-9(11,12)22-3-1-4-6(5(2-3)15(19)20)21-8(14(4)18)7(16)13-17/h1-2,16,18H/b8-7+