(3-methoxycarbonylphenyl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (3-methoxycarbonylphenyl)methyl-triphenyl-phosphanium chloride Openeye Name: (3-methoxycarbonylphenyl)methyl-triphenyl-phosphonium chloride CAS Name: (3-methoxycarbonylphenyl)methyl-triphenylphosphonium chloride IUPAC Name: (3-methoxycarbonylphenyl)methyl-triphenylphosphanium chloride Traditional Name: (3-carbomethoxybenzyl)-triphenyl-phosphonium chloride Formula: C27H24ClO2P MolecularWeight: 446.905021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24O2P.ClH/c1-29-27(28)23-13-11-12-22(20-23)21-30(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21H2,1H3;1H/q+1;/p-1