1-(3,4-dimethoxyphenyl)-2,2,2-tris(fluoranyl)ethanone; (E)-hydroxyiminomethanesulfonic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2,2,2-tris(fluoranyl)ethanone; (E)-hydroxyiminomethanesulfonic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-ethanone; (E)-hydroxyiminomethanesulfonic acid CAS Name: 1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone; (E)-hydroxyiminomethanesulfonic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone; (E)-hydroxyiminomethanesulfonic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-2,2,2-trifluoro-ethanone; (E)-hydroximinomethanesulfonic acid Formula: C11H12F3NO7S MolecularWeight: 359.27569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C(F)(F)F)OC.C(=NO)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C(F)(F)F)OC.C(=N/O)\S(=O)(=O)O

InChI

InChI=1S/C10H9F3O3.CH3NO4S/c1-15-7-4-3-6(5-8(7)16-2)9(14)10(11,12)13;3-2-1-7(4,5)6/h3-5H,1-2H3;1,3H,(H,4,5,6)/b;2-1+