[(1S,2S)-2-(4-iodanylbutyl)-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate

Systemtic Name: [(1S,2S)-2-(4-iodanylbutyl)-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate Openeye Name: [(1S,2S)-2-(4-iodobutyl)-2-methyl-3-oxo-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-(4-iodobutyl)-2-methyl-3-oxocyclohexyl] ester IUPAC Name: [(1S,2S)-2-(4-iodobutyl)-2-methyl-3-oxocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-(4-iodobutyl)-3-keto-2-methyl-cyclohexyl] ester Formula: C12H21IO4S MolecularWeight: 388.26221

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1=O)OS(=O)(=O)C)CCCCI

Isomeric SMILES

C[C@@]1([C@H](CCCC1=O)OS(=O)(=O)C)CCCCI

InChI

InChI=1S/C12H21IO4S/c1-12(8-3-4-9-13)10(14)6-5-7-11(12)17-18(2,15)16/h11H,3-9H2,1-2H3/t11-,12+/m0/s1