(2-ethoxycarbonylphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-ethoxycarbonylphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-ethoxycarbonylphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-ethoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-ethoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-carbethoxybenzyl)-triphenyl-phosphonium bromide Formula: C28H26BrO2P MolecularWeight: 505.382601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H26O2P.BrH/c1-2-30-28(29)27-21-13-12-14-23(27)22-31(24-15-6-3-7-16-24,25-17-8-4-9-18-25)26-19-10-5-11-20-26;/h3-21H,2,22H2,1H3;1H/q+1;/p-1