5-(2,2-diphenylethenyl)-6H-benzo[c][1,2]benzothiazin-5-ium chloride

Systemtic Name: 5-(2,2-diphenylethenyl)-6H-benzo[c][1,2]benzothiazin-5-ium chloride Openeye Name: 5-(2,2-diphenylvinyl)-6H-benzo[c][1,2]benzothiazin-5-ium chloride CAS Name: 5-(2,2-diphenylethenyl)-6H-benzo[c][1,2]benzothiazin-5-ium chloride IUPAC Name: 5-(2,2-diphenylethenyl)-6H-benzo[c][1,2]benzothiazin-5-ium chloride Traditional Name: 5-(2,2-diphenylvinyl)-6H-benzo[c][1,2]benzothiazin-5-ium chloride Formula: C26H20ClNS MolecularWeight: 413.9617

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C[S+]2C3=CC=CC=C3C4=CC=CC=C4N2)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C[S+]2C3=CC=CC=C3C4=CC=CC=C4N2)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H20NS.ClH/c1-3-11-20(12-4-1)24(21-13-5-2-6-14-21)19-28-26-18-10-8-16-23(26)22-15-7-9-17-25(22)27-28;/h1-19,27H;1H/q+1;/p-1