3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide

Systemtic Name: 3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide Openeye Name: 3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]chromen-4-one iodide CAS Name: 3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-benzopyran-4-one iodide IUPAC Name: 3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide Traditional Name: 3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]chromone iodide Formula: C20H16INO2S MolecularWeight: 461.31601

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=COC4=CC=CC=C4C3=O.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=COC4=CC=CC=C4C3=O.[I-]

InChI

InChI=1S/C20H16NO2S.HI/c1-2-21-16-8-4-6-10-18(16)24-19(21)12-11-14-13-23-17-9-5-3-7-15(17)20(14)22;/h3-13H,2H2,1H3;1H/q+1;/p-1/b12-11+;