(3-carboxy-4-methyl-phenyl)-pent-4-enyl-diphenyl-phosphanium bromide

Systemtic Name: (3-carboxy-4-methyl-phenyl)-pent-4-enyl-diphenyl-phosphanium bromide Openeye Name: (3-carboxy-4-methyl-phenyl)-pent-4-enyl-diphenyl-phosphonium bromide CAS Name: (3-carboxy-4-methylphenyl)-pent-4-enyl-diphenylphosphonium bromide IUPAC Name: (3-carboxy-4-methylphenyl)-pent-4-enyl-diphenylphosphanium bromide Traditional Name: (3-carboxy-4-methyl-phenyl)-pent-4-enyl-diphenyl-phosphonium bromide Formula: C25H26BrO2P MolecularWeight: 469.350501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[P+](CCCC=C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)[P+](CCCC=C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.[Br-]

InChI

InChI=1S/C25H25O2P.BrH/c1-3-4-11-18-28(21-12-7-5-8-13-21,22-14-9-6-10-15-22)23-17-16-20(2)24(19-23)25(26)27;/h3,5-10,12-17,19H,1,4,11,18H2,2H3;1H