(4-methoxyphenyl)-phenyl-iodanium; octane-1-sulfonate

Systemtic Name: (4-methoxyphenyl)-phenyl-iodanium; octane-1-sulfonate Openeye Name: (4-methoxyphenyl)-phenyl-iodonium; octane-1-sulfonate CAS Name: (4-methoxyphenyl)-phenyliodonium; 1-octanesulfonate IUPAC Name: (4-methoxyphenyl)-phenyliodanium; octane-1-sulfonate Traditional Name: (4-methoxyphenyl)-phenyl-iodonium; octane-1-sulfonate Formula: C21H29IO4S MolecularWeight: 504.42203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].COC1=CC=C(C=C1)[I+]C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].COC1=CC=C(C=C1)[I+]C2=CC=CC=C2

InChI

InChI=1S/C13H12IO.C8H18O3S/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-2-3-4-5-6-7-8-12(9,10)11/h2-10H,1H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1