(5-ethoxycarbonyl-2-methoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-ethoxycarbonyl-2-methoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-ethoxycarbonyl-2-methoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (5-ethoxycarbonyl-2-methoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (5-ethoxycarbonyl-2-methoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (5-carbethoxy-2-methoxy-benzyl)-triphenyl-phosphonium bromide Formula: C29H28BrO3P MolecularWeight: 535.408581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O3P.BrH/c1-3-32-29(30)23-19-20-28(31-2)24(21-23)22-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;/h4-21H,3,22H2,1-2H3;1H/q+1;/p-1