(3-acetyloxy-2-ethoxycarbonyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-acetyloxy-2-ethoxycarbonyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-acetoxy-2-ethoxycarbonyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-acetyloxy-2-ethoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-acetyloxy-2-ethoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (3-acetoxy-2-carbethoxy-benzyl)-triphenyl-phosphonium bromide Formula: C30H28BrO4P MolecularWeight: 563.418681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1OC(=O)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1OC(=O)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H28O4P.BrH/c1-3-33-30(32)29-24(14-13-21-28(29)34-23(2)31)22-35(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27;/h4-21H,3,22H2,1-2H3;1H/q+1;/p-1