(2Z)-2-[(1-ethylpyridin-1-ium-3-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one iodide

Systemtic Name: (2Z)-2-[(1-ethylpyridin-1-ium-3-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one iodide Openeye Name: (2Z)-2-[(1-ethylpyridin-1-ium-3-yl)methylene]-6-hydroxy-benzofuran-3-one iodide CAS Name: (2Z)-2-[(1-ethyl-3-pyridin-1-iumyl)methylidene]-6-hydroxy-3-benzofuranone iodide IUPAC Name: (2Z)-2-[(1-ethylpyridin-1-ium-3-yl)methylidene]-6-hydroxy-1-benzofuran-3-one iodide Traditional Name: (2Z)-2-[(1-ethylpyridin-1-ium-3-yl)methylene]-6-hydroxy-coumaran-3-one iodide Formula: C16H14INO3 MolecularWeight: 395.19173

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O.[I-]

InChI

InChI=1S/C16H13NO3.HI/c1-2-17-7-3-4-11(10-17)8-15-16(19)13-6-5-12(18)9-14(13)20-15;/h3-10H,2H2,1H3;1H/b15-8-;