[(1S,2S)-2-(6-iodanylhexyl)-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate

Systemtic Name: [(1S,2S)-2-(6-iodanylhexyl)-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate Openeye Name: [(1S,2S)-2-(6-iodohexyl)-2-methyl-3-oxo-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-(6-iodohexyl)-2-methyl-3-oxocyclohexyl] ester IUPAC Name: [(1S,2S)-2-(6-iodohexyl)-2-methyl-3-oxocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-(6-iodohexyl)-3-keto-2-methyl-cyclohexyl] ester Formula: C14H25IO4S MolecularWeight: 416.31537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25IO4S/c1-14(10-5-3-4-6-11-15)12(16)8-7-9-13(14)19-20(2,17)18/h13H,3-11H2,1-2H3/t13-,14+/m0/s1