(4-tert-butyl-2-ethanoyl-phenyl)-phenyl-iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate

Systemtic Name: (4-tert-butyl-2-ethanoyl-phenyl)-phenyl-iodanium; (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: (2-acetyl-4-tert-butyl-phenyl)-phenyl-iodonium; (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (2-acetyl-4-tert-butylphenyl)-phenyliodonium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate IUPAC Name: (2-acetyl-4-tert-butylphenyl)-phenyliodanium; (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: (2-acetyl-4-tert-butyl-phenyl)-phenyl-iodonium; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonate Formula: C28H35IO5S MolecularWeight: 610.54397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20IO.C10H16O4S/c1-13(20)16-12-14(18(2,3)4)10-11-17(16)19-15-8-6-5-7-9-15;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h5-12H,1-4H3;7H,3-6H2,1-2H3,(H,12,13,14)/q+1;/p-1