3-methyl-2-[(E)-2-phenylethenyl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione iodide

Systemtic Name: 3-methyl-2-[(E)-2-phenylethenyl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione iodide Openeye Name: 3-methyl-2-[(E)-styryl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione iodide CAS Name: 3-methyl-2-[(E)-2-phenylethenyl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione iodide IUPAC Name: 3-methyl-2-[(E)-2-phenylethenyl]benzo[f][1,3]benzothiazol-3-ium-4,9-dione iodide Traditional Name: 3-methyl-2-[(E)-styryl]benzo[f][1,3]benzothiazol-3-ium-4,9-quinone iodide Formula: C20H14INO2S MolecularWeight: 459.30013

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C(=O)C3=CC=CC=C3C2=O)C=CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=C(SC2=C1C(=O)C3=CC=CC=C3C2=O)/C=C/C4=CC=CC=C4.[I-]

InChI

InChI=1S/C20H14NO2S.HI/c1-21-16(12-11-13-7-3-2-4-8-13)24-20-17(21)18(22)14-9-5-6-10-15(14)19(20)23;/h2-12H,1H3;1H/q+1;/p-1/b12-11+;