2-(4-carboxyphenyl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(4-carboxyphenyl)ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(4-carboxyphenyl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(4-carboxyphenyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(4-carboxyphenyl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(4-carboxyphenyl)ethyl-triphenyl-phosphonium bromide Formula: C27H24BrO2P MolecularWeight: 491.356021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCC2=CC=C(C=C2)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCC2=CC=C(C=C2)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H23O2P.BrH/c28-27(29)23-18-16-22(17-19-23)20-21-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,20-21H2;1H