bis(3-nitrophenyl)iodanium; methanesulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; methanesulfonate Openeye Name: bis(3-nitrophenyl)iodonium; methanesulfonate CAS Name: bis(3-nitrophenyl)iodonium; methanesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; methanesulfonate Traditional Name: bis(3-nitrophenyl)iodonium mesylate Formula: C13H11IN2O7S MolecularWeight: 466.20511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8IN2O4.CH4O3S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;1-5(2,3)4/h1-8H;1H3,(H,2,3,4)/q+1;/p-1