bis(3-nitrophenyl)iodanium; octane-1-sulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; octane-1-sulfonate Openeye Name: bis(3-nitrophenyl)iodonium; octane-1-sulfonate CAS Name: bis(3-nitrophenyl)iodonium; 1-octanesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; octane-1-sulfonate Traditional Name: bis(3-nitrophenyl)iodonium; octane-1-sulfonate Formula: C20H25IN2O7S MolecularWeight: 564.39117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8IN2O4.C8H18O3S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;1-2-3-4-5-6-7-8-12(9,10)11/h1-8H;2-8H2,1H3,(H,9,10,11)/q+1;/p-1