(3-carboxy-4,5-dimethyl-phenyl)-pentyl-diphenyl-phosphanium bromide

Systemtic Name: (3-carboxy-4,5-dimethyl-phenyl)-pentyl-diphenyl-phosphanium bromide Openeye Name: (3-carboxy-4,5-dimethyl-phenyl)-pentyl-diphenyl-phosphonium bromide CAS Name: (3-carboxy-4,5-dimethylphenyl)-pentyl-diphenylphosphonium bromide IUPAC Name: (3-carboxy-4,5-dimethylphenyl)-pentyl-diphenylphosphanium bromide Traditional Name: amyl-(3-carboxy-4,5-dimethyl-phenyl)-diphenyl-phosphonium bromide Formula: C26H30BrO2P MolecularWeight: 485.392961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29O2P.BrH/c1-4-5-12-17-29(22-13-8-6-9-14-22,23-15-10-7-11-16-23)24-18-20(2)21(3)25(19-24)26(27)28;/h6-11,13-16,18-19H,4-5,12,17H2,1-3H3;1H