(4-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-ethoxycarbonyl-3-methoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-ethoxycarbonyl-3-methoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-carbethoxy-3-methoxy-benzyl)-triphenyl-phosphonium bromide Formula: C29H28BrO3P MolecularWeight: 535.408581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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