bis(2-tert-butylphenyl)iodanium; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate

Systemtic Name: bis(2-tert-butylphenyl)iodanium; 4,7,7-trimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-2-sulfonate Openeye Name: bis(2-tert-butylphenyl)iodonium; 4,7,7-trimethyl-3-oxo-norbornane-2-sulfonate CAS Name: bis(2-tert-butylphenyl)iodonium; 4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanesulfonate IUPAC Name: bis(2-tert-butylphenyl)iodanium; 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-sulfonate Traditional Name: bis(2-tert-butylphenyl)iodonium; 3-keto-4,7,7-trimethyl-norbornane-2-sulfonate Formula: C30H41IO4S MolecularWeight: 624.61361

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C

Isomeric SMILES

CC1(C2CCC1(C(=O)C2S(=O)(=O)[O-])C)C.CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C

InChI

InChI=1S/C20H26I.C10H16O4S/c1-19(2,3)15-11-7-9-13-17(15)21-18-14-10-8-12-16(18)20(4,5)6;1-9(2)6-4-5-10(9,3)8(11)7(6)15(12,13)14/h7-14H,1-6H3;6-7H,4-5H2,1-3H3,(H,12,13,14)/q+1;/p-1