[(1S,2S)-2-[[2-(iodanylmethyl)phenyl]methyl]-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate

Systemtic Name: [(1S,2S)-2-[[2-(iodanylmethyl)phenyl]methyl]-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate Openeye Name: [(1S,2S)-2-[[2-(iodomethyl)phenyl]methyl]-2-methyl-3-oxo-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-[[2-(iodomethyl)phenyl]methyl]-2-methyl-3-oxocyclohexyl] ester IUPAC Name: [(1S,2S)-2-[[2-(iodomethyl)phenyl]methyl]-2-methyl-3-oxocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-[2-(iodomethyl)benzyl]-3-keto-2-methyl-cyclohexyl] ester Formula: C16H21IO4S MolecularWeight: 436.30501

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1=O)OS(=O)(=O)C)CC2=CC=CC=C2CI

Isomeric SMILES

C[C@@]1([C@H](CCCC1=O)OS(=O)(=O)C)CC2=CC=CC=C2CI

InChI

InChI=1S/C16H21IO4S/c1-16(10-12-6-3-4-7-13(12)11-17)14(18)8-5-9-15(16)21-22(2,19)20/h3-4,6-7,15H,5,8-11H2,1-2H3/t15-,16+/m0/s1