7-(4-fluorophenyl)-5-(1-methylpyridin-1-ium-2-yl)oxy-1,3-benzoxathiol-2-one iodide

Systemtic Name: 7-(4-fluorophenyl)-5-(1-methylpyridin-1-ium-2-yl)oxy-1,3-benzoxathiol-2-one iodide Openeye Name: 7-(4-fluorophenyl)-5-(1-methylpyridin-1-ium-2-yl)oxy-1,3-benzoxathiol-2-one iodide CAS Name: 7-(4-fluorophenyl)-5-[(1-methyl-2-pyridin-1-iumyl)oxy]-1,3-benzoxathiol-2-one iodide IUPAC Name: 7-(4-fluorophenyl)-5-(1-methylpyridin-1-ium-2-yl)oxy-1,3-benzoxathiol-2-one iodide Traditional Name: 7-(4-fluorophenyl)-5-(1-methylpyridin-1-ium-2-yl)oxy-1,3-benzoxathiol-2-one iodide Formula: C19H13FINO3S MolecularWeight: 481.279293

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1OC2=CC3=C(C(=C2)C4=CC=C(C=C4)F)OC(=O)S3.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1OC2=CC3=C(C(=C2)C4=CC=C(C=C4)F)OC(=O)S3.[I-]

InChI

InChI=1S/C19H13FNO3S.HI/c1-21-9-3-2-4-17(21)23-14-10-15(12-5-7-13(20)8-6-12)18-16(11-14)25-19(22)24-18;/h2-11H,1H3;1H/q+1;/p-1