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

Systemtic Name: bis(4-tert-butylphenyl)iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C30H41IO4S MolecularWeight: 624.61361

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=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)CS(=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.C10H16O4S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7-14H,1-6H3;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1