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

Systemtic Name: iodanylbenzene; (4-nitrophenyl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: iodobenzene; (4-nitrophenyl) (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate CAS Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid (4-nitrophenyl) ester; iodobenzene IUPAC Name: iodobenzene; (4-nitrophenyl) (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate Traditional Name: iodobenzene; (2-keto-7,7-dimethyl-norbornan-1-yl)methanesulfonic acid (4-nitrophenyl) ester Formula: C22H24INO6S MolecularWeight: 557.39853

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C.C1=CC=C(C=C1)I

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-])C.C1=CC=C(C=C1)I

InChI

InChI=1S/C16H19NO6S.C6H5I/c1-15(2)11-7-8-16(15,14(18)9-11)10-24(21,22)23-13-5-3-12(4-6-13)17(19)20;7-6-4-2-1-3-5-6/h3-6,11H,7-10H2,1-2H3;1-5H