bis(3-nitrophenyl)iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; 4-methylbenzenesulfonate Openeye Name: bis(3-nitrophenyl)iodonium; 4-methylbenzenesulfonate CAS Name: bis(3-nitrophenyl)iodonium; 4-methylbenzenesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; 4-methylbenzenesulfonate Traditional Name: bis(3-nitrophenyl)iodonium tosylate Formula: C19H15IN2O7S MolecularWeight: 542.30107

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8IN2O4.C7H8O3S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)/q+1;/p-1