1-(4-ethoxy-3,5-dimethyl-phenyl)-2,2,2-tris(fluoranyl)ethanone; (3E)-3-hydroxyiminopropane-1-sulfonic acid

Systemtic Name: 1-(4-ethoxy-3,5-dimethyl-phenyl)-2,2,2-tris(fluoranyl)ethanone; (3E)-3-hydroxyiminopropane-1-sulfonic acid Openeye Name: 1-(4-ethoxy-3,5-dimethyl-phenyl)-2,2,2-trifluoro-ethanone; (3E)-3-hydroxyiminopropane-1-sulfonic acid CAS Name: 1-(4-ethoxy-3,5-dimethylphenyl)-2,2,2-trifluoroethanone; (3E)-3-hydroxyimino-1-propanesulfonic acid IUPAC Name: 1-(4-ethoxy-3,5-dimethylphenyl)-2,2,2-trifluoroethanone; (3E)-3-hydroxyiminopropane-1-sulfonic acid Traditional Name: 1-(4-ethoxy-3,5-dimethyl-phenyl)-2,2,2-trifluoro-ethanone; (3E)-3-hydroximinopropane-1-sulfonic acid Formula: C15H20F3NO6S MolecularWeight: 399.38261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)C(=O)C(F)(F)F)C.C(CS(=O)(=O)O)C=NO

Isomeric SMILES

CCOC1=C(C=C(C=C1C)C(=O)C(F)(F)F)C.C(CS(=O)(=O)O)/C=N/O

InChI

InChI=1S/C12H13F3O2.C3H7NO4S/c1-4-17-10-7(2)5-9(6-8(10)3)11(16)12(13,14)15;5-4-2-1-3-9(6,7)8/h5-6H,4H2,1-3H3;2,5H,1,3H2,(H,6,7,8)/b;4-2+