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

Systemtic Name: 3-bromanyl-2-(4-methoxyphenyl)-1-phenyl-1-benzothiophen-1-ium bromide Openeye Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-benzothiophen-1-ium bromide CAS Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-1-benzothiophen-1-ium bromide IUPAC Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-1-benzothiophen-1-ium bromide Traditional Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-benzothiophen-1-ium bromide Formula: C21H16Br2OS MolecularWeight: 476.22414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)Br.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3[S+]2C4=CC=CC=C4)Br.[Br-]

InChI

InChI=1S/C21H16BrOS.BrH/c1-23-16-13-11-15(12-14-16)21-20(22)18-9-5-6-10-19(18)24(21)17-7-3-2-4-8-17;/h2-14H,1H3;1H/q+1;/p-1