(3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-methoxy-2-oxidanyl-5-prop-2-enyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-allyl-2-hydroxy-3-methoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-hydroxy-3-methoxy-5-prop-2-enylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (5-allyl-2-hydroxy-3-methoxy-benzyl)-triphenyl-phosphonium bromide Formula: C29H28BrO2P MolecularWeight: 519.409181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC=C.[Br-]

Isomeric SMILES

COC1=CC(=CC(=C1O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC=C.[Br-]

InChI

InChI=1S/C29H27O2P.BrH/c1-3-13-23-20-24(29(30)28(21-23)31-2)22-32(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27;/h3-12,14-21H,1,13,22H2,2H3;1H