3-bromanyl-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium bromide

Systemtic Name: 3-bromanyl-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium bromide Openeye Name: 3-bromo-1-phenyl-2-(p-tolyl)benzothiophen-1-ium bromide CAS Name: 3-bromo-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium bromide IUPAC Name: 3-bromo-2-(4-methylphenyl)-1-phenyl-1-benzothiophen-1-ium bromide Traditional Name: 3-bromo-1-phenyl-2-(p-tolyl)benzothiophen-1-ium bromide Formula: C21H16Br2S MolecularWeight: 460.22474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)Br.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)Br.[Br-]

InChI

InChI=1S/C21H16BrS.BrH/c1-15-11-13-16(14-12-15)21-20(22)18-9-5-6-10-19(18)23(21)17-7-3-2-4-8-17;/h2-14H,1H3;1H/q+1;/p-1