(5-chloranyl-1-benzothiophen-3-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-chloranyl-1-benzothiophen-3-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-chlorobenzothiophen-3-yl)methyl-triphenyl-phosphonium bromide CAS Name: (5-chloro-1-benzothiophen-3-yl)methyl-triphenylphosphonium bromide IUPAC Name: (5-chloro-1-benzothiophen-3-yl)methyl-triphenylphosphanium bromide Traditional Name: (5-chlorobenzothiophen-3-yl)methyl-triphenyl-phosphonium bromide Formula: C27H21BrClPS MolecularWeight: 523.851401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CSC3=C2C=C(C=C3)Cl)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CSC3=C2C=C(C=C3)Cl)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C27H21ClPS.BrH/c28-22-16-17-27-26(18-22)21(20-30-27)19-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-18,20H,19H2;1H/q+1;/p-1