(3,3,5-trimethyl-4-oxidanylidene-cyclohexyl) 4-iodanylbenzenesulfonate

Systemtic Name: (3,3,5-trimethyl-4-oxidanylidene-cyclohexyl) 4-iodanylbenzenesulfonate Openeye Name: (3,3,5-trimethyl-4-oxo-cyclohexyl) 4-iodobenzenesulfonate CAS Name: 4-iodobenzenesulfonic acid (3,3,5-trimethyl-4-oxocyclohexyl) ester IUPAC Name: (3,3,5-trimethyl-4-oxocyclohexyl) 4-iodobenzenesulfonate Traditional Name: 4-iodobenzenesulfonic acid (4-keto-3,3,5-trimethyl-cyclohexyl) ester Formula: C15H19IO4S MolecularWeight: 422.27843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1=O)(C)C)OS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1CC(CC(C1=O)(C)C)OS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C15H19IO4S/c1-10-8-12(9-15(2,3)14(10)17)20-21(18,19)13-6-4-11(16)5-7-13/h4-7,10,12H,8-9H2,1-3H3