(6-cyano-3-methoxy-1-benzothiophen-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (6-cyano-3-methoxy-1-benzothiophen-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (6-cyano-3-methoxy-benzothiophen-2-yl)methyl-triphenyl-phosphonium bromide CAS Name: (6-cyano-3-methoxy-1-benzothiophen-2-yl)methyl-triphenylphosphonium bromide IUPAC Name: (6-cyano-3-methoxy-1-benzothiophen-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (6-cyano-3-methoxy-benzothiophen-2-yl)methyl-triphenyl-phosphonium bromide Formula: C29H23BrNOPS MolecularWeight: 544.441781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC2=C1C=CC(=C2)C#N)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

COC1=C(SC2=C1C=CC(=C2)C#N)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H23NOPS.BrH/c1-31-29-26-18-17-22(20-30)19-27(26)33-28(29)21-32(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-19H,21H2,1H3;1H/q+1;/p-1