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

Systemtic Name: (4-nitrophenyl)-phenyl-iodanium; octane-1-sulfonate Openeye Name: (4-nitrophenyl)-phenyl-iodonium; octane-1-sulfonate CAS Name: (4-nitrophenyl)-phenyliodonium; 1-octanesulfonate IUPAC Name: (4-nitrophenyl)-phenyliodanium; octane-1-sulfonate Traditional Name: (4-nitrophenyl)-phenyl-iodonium; octane-1-sulfonate Formula: C20H26INO5S MolecularWeight: 519.39361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9INO2.C8H18O3S/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;1-2-3-4-5-6-7-8-12(9,10)11/h1-9H;2-8H2,1H3,(H,9,10,11)/q+1;/p-1