(E)-hydroxyiminomethanesulfonic acid; 4-[2,2,2-tris(fluoranyl)ethanoyl]thiobenzaldehyde

Systemtic Name: (E)-hydroxyiminomethanesulfonic acid; 4-[2,2,2-tris(fluoranyl)ethanoyl]thiobenzaldehyde Openeye Name: (E)-hydroxyiminomethanesulfonic acid; 4-(2,2,2-trifluoroacetyl)thiobenzaldehyde CAS Name: (E)-hydroxyiminomethanesulfonic acid; 4-(2,2,2-trifluoro-1-oxoethyl)thiobenzaldehyde IUPAC Name: (E)-hydroxyiminomethanesulfonic acid; 4-(2,2,2-trifluoroacetyl)thiobenzaldehyde Traditional Name: (E)-hydroximinomethanesulfonic acid; 4-(2,2,2-trifluoroacetyl)thiobenzaldehyde Formula: C10H8F3NO5S2 MolecularWeight: 343.29943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=S)C(=O)C(F)(F)F.C(=NO)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C=S)C(=O)C(F)(F)F.C(=N/O)\S(=O)(=O)O

InChI

InChI=1S/C9H5F3OS.CH3NO4S/c10-9(11,12)8(13)7-3-1-6(5-14)2-4-7;3-2-1-7(4,5)6/h1-5H;1,3H,(H,4,5,6)/b;2-1+