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

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 7,7-dimethyl-3-oxidanylidene-bicyclo[2.2.1]heptane-4-sulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 7,7-dimethyl-2-oxo-norbornane-1-sulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 7,7-dimethyl-3-oxobicyclo[2.2.1]heptane-4-sulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 2-keto-7,7-dimethyl-norbornane-1-sulfonate Formula: C29H39IO4S MolecularWeight: 610.58703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26I.C9H14O4S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-8(2)6-3-4-9(8,7(10)5-6)14(11,12)13/h7-14H,1-6H3;6H,3-5H2,1-2H3,(H,11,12,13)/q+1;/p-1