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

Systemtic Name: iodanylbenzene; (4-methoxyphenyl) (7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)methanesulfonate Openeye Name: iodobenzene; (4-methoxyphenyl) (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-methoxyphenyl) ester; iodobenzene IUPAC Name: iodobenzene; (4-methoxyphenyl) (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-methoxyphenyl) ester Formula: C23H27IO5S MolecularWeight: 542.42695

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3=CC=C(C=C3)OC)C.C1=CC=C(C=C1)I

Isomeric SMILES

CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3=CC=C(C=C3)OC)C.C1=CC=C(C=C1)I

InChI

InChI=1S/C17H22O5S.C6H5I/c1-16(2)12-8-9-17(16,15(18)10-12)11-23(19,20)22-14-6-4-13(21-3)5-7-14;7-6-4-2-1-3-5-6/h4-7,12H,8-11H2,1-3H3;1-5H