[2-(carboxymethyl)-1-benzothiophen-4-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-(carboxymethyl)-1-benzothiophen-4-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-(carboxymethyl)benzothiophen-4-yl]methyl-triphenyl-phosphonium bromide CAS Name: [2-(carboxymethyl)-1-benzothiophen-4-yl]methyl-triphenylphosphonium bromide IUPAC Name: [2-(carboxymethyl)-1-benzothiophen-4-yl]methyl-triphenylphosphanium bromide Traditional Name: [2-(carboxymethyl)benzothiophen-4-yl]methyl-triphenyl-phosphonium bromide Formula: C29H24BrO2PS MolecularWeight: 547.442421

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=C3C=C(SC3=CC=C2)CC(=O)O)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C3C=C(SC3=CC=C2)CC(=O)O)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H23O2PS.BrH/c30-29(31)20-26-19-27-22(11-10-18-28(27)33-26)21-32(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h1-19H,20-21H2;1H