2-(carboxymethylsulfanyl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(carboxymethylsulfanyl)ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(carboxymethylsulfanyl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(carboxymethylthio)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(carboxymethylsulfanyl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(carboxymethylthio)ethyl-triphenyl-phosphonium bromide Formula: C22H22BrO2PS MolecularWeight: 461.351641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCSCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCSCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H21O2PS.BrH/c23-22(24)18-26-17-16-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15H,16-18H2;1H