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

Systemtic Name: 6-chloranyl-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide Openeye Name: 6-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]chromen-4-one iodide CAS Name: 6-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-benzopyran-4-one iodide IUPAC Name: 6-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide Traditional Name: 6-chloro-3-[(E)-2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]chromone iodide Formula: C20H15ClINO2S MolecularWeight: 495.76107

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=COC4=C(C3=O)C=C(C=C4)Cl.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=COC4=C(C3=O)C=C(C=C4)Cl.[I-]

InChI

InChI=1S/C20H15ClNO2S.HI/c1-2-22-16-5-3-4-6-18(16)25-19(22)10-7-13-12-24-17-9-8-14(21)11-15(17)20(13)23;/h3-12H,2H2,1H3;1H/q+1;/p-1/b10-7+;