(4-ethoxycarbonylphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-ethoxycarbonylphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-ethoxycarbonylphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-ethoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-ethoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-carbethoxybenzyl)-triphenyl-phosphonium bromide Formula: C28H26BrO2P MolecularWeight: 505.382601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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