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2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenol iodide

2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenol iodide

Systemtic Name:2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenol iodide
Openeye Name:2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenol iodide
CAS Name:2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenol iodide
IUPAC Name:2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]phenol iodide
Traditional Name:2-[(E)-2-(5-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]phenol iodide
Formula: C17H16INO2S
MolecularWeight: 425.28391
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=C(C=C2)OC)C=CC3=CC=CC=C3O.[I-]


Isomeric SMILES

C[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C3=CC=CC=C3O.[I-]


InChI

InChI=1S/C17H15NO2S.HI/c1-18-14-11-13(20-2)8-9-16(14)21-17(18)10-7-12-5-3-4-6-15(12)19;/h3-11H,1-2H3;1H


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