bis(3-nitrophenyl)iodanium; ethanesulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; ethanesulfonate Openeye Name: bis(3-nitrophenyl)iodonium; ethanesulfonate CAS Name: bis(3-nitrophenyl)iodonium; ethanesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; ethanesulfonate Traditional Name: bis(3-nitrophenyl)iodonium esylate Formula: C14H13IN2O7S MolecularWeight: 480.23169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8IN2O4.C2H6O3S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;1-2-6(3,4)5/h1-8H;2H2,1H3,(H,3,4,5)/q+1;/p-1