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

Systemtic Name: [(1S,2S)-2-[2-(iodanylmethyl)prop-2-enyl]-2-methyl-3-oxidanylidene-cyclohexyl] methanesulfonate Openeye Name: [(1S,2S)-2-[2-(iodomethyl)allyl]-2-methyl-3-oxo-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-[2-(iodomethyl)prop-2-enyl]-2-methyl-3-oxocyclohexyl] ester IUPAC Name: [(1S,2S)-2-[2-(iodomethyl)prop-2-enyl]-2-methyl-3-oxocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-[2-(iodomethyl)allyl]-3-keto-2-methyl-cyclohexyl] ester Formula: C12H19IO4S MolecularWeight: 386.24633

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCC1=O)OS(=O)(=O)C)CC(=C)CI

Isomeric SMILES

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

InChI

InChI=1S/C12H19IO4S/c1-9(8-13)7-12(2)10(14)5-4-6-11(12)17-18(3,15)16/h11H,1,4-8H2,2-3H3/t11-,12+/m0/s1