2-iodanyl-2-triphenylphosphaniumyl-octan-3-olate

Systemtic Name: 2-iodanyl-2-triphenylphosphaniumyl-octan-3-olate Openeye Name: 2-iodo-2-triphenylphosphaniumyl-octan-3-olate CAS Name: 2-iodo-2-triphenylphosphiniumyl-3-octanolate IUPAC Name: 2-iodo-2-triphenylphosphaniumyloctan-3-olate Traditional Name: 2-iodo-2-triphenylphosphiniumyl-octan-3-olate Formula: C26H30IOP MolecularWeight: 516.394031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30IOP/c1-3-4-8-21-25(28)26(2,27)29(22-15-9-5-10-16-22,23-17-11-6-12-18-23)24-19-13-7-14-20-24/h5-7,9-20,25H,3-4,8,21H2,1-2H3