3-bromanyl-1,2-diphenyl-1-benzothiophen-1-ium bromide

Systemtic Name: 3-bromanyl-1,2-diphenyl-1-benzothiophen-1-ium bromide Openeye Name: 3-bromo-1,2-diphenyl-benzothiophen-1-ium bromide CAS Name: 3-bromo-1,2-diphenyl-1-benzothiophen-1-ium bromide IUPAC Name: 3-bromo-1,2-diphenyl-1-benzothiophen-1-ium bromide Traditional Name: 3-bromo-1,2-diphenyl-benzothiophen-1-ium bromide Formula: C20H14Br2S MolecularWeight: 446.19816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrS.BrH/c21-19-17-13-7-8-14-18(17)22(16-11-5-2-6-12-16)20(19)15-9-3-1-4-10-15;/h1-14H;1H/q+1;/p-1