bis(3-nitrophenyl)iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: bis(3-nitrophenyl)iodonium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: bis(3-nitrophenyl)iodonium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: bis(3-nitrophenyl)iodonium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C22H23IN2O8S MolecularWeight: 602.39609

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.C1=CC(=CC(=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8IN2O4.C10H16O4S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h1-8H;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1