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

Systemtic Name: (4-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphanium Openeye Name: (4-ethoxycarbonyl-3-methoxy-phenyl)methyl-triphenyl-phosphonium CAS Name: (4-ethoxycarbonyl-3-methoxyphenyl)methyl-triphenylphosphonium IUPAC Name: (4-ethoxycarbonyl-3-methoxyphenyl)methyl-triphenylphosphanium Traditional Name: (4-carbethoxy-3-methoxy-benzyl)-triphenyl-phosphonium Formula: C29H28O3P+ MolecularWeight: 455.504581

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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

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

InChI

InChI=1S/C29H28O3P/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/q+1