7-(2-carboxyphenyl)heptyl-triphenyl-phosphanium bromide

Systemtic Name: 7-(2-carboxyphenyl)heptyl-triphenyl-phosphanium bromide Openeye Name: 7-(2-carboxyphenyl)heptyl-triphenyl-phosphonium bromide CAS Name: 7-(2-carboxyphenyl)heptyl-triphenylphosphonium bromide IUPAC Name: 7-(2-carboxyphenyl)heptyl-triphenylphosphanium bromide Traditional Name: 7-(2-carboxyphenyl)heptyl-triphenyl-phosphonium bromide Formula: C32H34BrO2P MolecularWeight: 561.488921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCCCCCCC2=CC=CC=C2C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCCCCCCC2=CC=CC=C2C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C32H33O2P.BrH/c33-32(34)31-25-15-14-18-27(31)17-7-2-1-3-16-26-35(28-19-8-4-9-20-28,29-21-10-5-11-22-29)30-23-12-6-13-24-30;/h4-6,8-15,18-25H,1-3,7,16-17,26H2;1H