2-iodanyl-1-(4-methylphenyl)-2-triphenylphosphaniumyl-propan-1-olate

Systemtic Name: 2-iodanyl-1-(4-methylphenyl)-2-triphenylphosphaniumyl-propan-1-olate Openeye Name: 2-iodo-1-(p-tolyl)-2-triphenylphosphaniumyl-propan-1-olate CAS Name: 2-iodo-1-(4-methylphenyl)-2-triphenylphosphiniumyl-1-propanolate IUPAC Name: 2-iodo-1-(4-methylphenyl)-2-triphenylphosphaniumylpropan-1-olate Traditional Name: 2-iodo-1-(p-tolyl)-2-triphenylphosphiniumyl-propan-1-olate Formula: C28H26IOP MolecularWeight: 536.383671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C)([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)I)[O-]

InChI

InChI=1S/C28H26IOP/c1-22-18-20-23(21-19-22)27(30)28(2,29)31(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,27H,1-2H3