(5-bromanyl-2-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium

Systemtic Name: (5-bromanyl-2-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium Openeye Name: (5-bromo-2-methoxycarbonyl-phenyl)methyl-triphenyl-phosphonium CAS Name: (5-bromo-2-methoxycarbonylphenyl)methyl-triphenylphosphonium IUPAC Name: (5-bromo-2-methoxycarbonylphenyl)methyl-triphenylphosphanium Traditional Name: (5-bromo-2-carbomethoxy-benzyl)-triphenyl-phosphonium Formula: C27H23BrO2P+ MolecularWeight: 490.348081

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23BrO2P/c1-30-27(29)26-18-17-22(28)19-21(26)20-31(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-19H,20H2,1H3/q+1