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

Systemtic Name: [(1S,2S)-2-[[2-(iodanylmethyl)phenyl]methyl]-2-methyl-3-oxidanylidene-cyclopentyl] methanesulfonate Openeye Name: [(1S,2S)-2-[[2-(iodomethyl)phenyl]methyl]-2-methyl-3-oxo-cyclopentyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-2-[[2-(iodomethyl)phenyl]methyl]-2-methyl-3-oxocyclopentyl] ester IUPAC Name: [(1S,2S)-2-[[2-(iodomethyl)phenyl]methyl]-2-methyl-3-oxocyclopentyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-2-[2-(iodomethyl)benzyl]-3-keto-2-methyl-cyclopentyl] ester Formula: C15H19IO4S MolecularWeight: 422.27843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1=O)OS(=O)(=O)C)CC2=CC=CC=C2CI

Isomeric SMILES

C[C@@]1([C@H](CCC1=O)OS(=O)(=O)C)CC2=CC=CC=C2CI

InChI

InChI=1S/C15H19IO4S/c1-15(9-11-5-3-4-6-12(11)10-16)13(17)7-8-14(15)20-21(2,18)19/h3-6,14H,7-10H2,1-2H3/t14-,15+/m0/s1