2-methoxy-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]phenol iodide

Systemtic Name: 2-methoxy-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]phenol iodide Openeye Name: 2-methoxy-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]phenol iodide CAS Name: 2-methoxy-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]phenol iodide IUPAC Name: 2-methoxy-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]phenol iodide Traditional Name: 2-methoxy-4-[2-(3-methyl-1,3-benzoxazol-3-ium-2-yl)vinyl]phenol iodide Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=CC=CC=C21)C=CC3=CC(=C(C=C3)O)OC.[I-]

Isomeric SMILES

C[N+]1=C(OC2=CC=CC=C21)C=CC3=CC(=C(C=C3)O)OC.[I-]

InChI

InChI=1S/C17H15NO3.HI/c1-18-13-5-3-4-6-15(13)21-17(18)10-8-12-7-9-14(19)16(11-12)20-2;/h3-11H,1-2H3;1H