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

Systemtic Name: 3-bromanyl-2-(4-methoxyphenyl)-1-phenyl-1-benzothiophen-1-ium Openeye Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-benzothiophen-1-ium CAS Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-1-benzothiophen-1-ium IUPAC Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-1-benzothiophen-1-ium Traditional Name: 3-bromo-2-(4-methoxyphenyl)-1-phenyl-benzothiophen-1-ium Formula: C21H16BrOS+ MolecularWeight: 396.32014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrOS/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/q+1