[(1R)-1-[(1R,2R)-2-methyl-1-oxidanylidene-1,3-dithiolan-2-yl]ethyl] benzoate

Systemtic Name: [(1R)-1-[(1R,2R)-2-methyl-1-oxidanylidene-1,3-dithiolan-2-yl]ethyl] benzoate Openeye Name: [(1R)-1-[(1R,2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethyl] benzoate CAS Name: benzoic acid [(1R)-1-[(1R,2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethyl] ester IUPAC Name: [(1R)-1-[(1R,2R)-2-methyl-1-oxo-1,3-dithiolan-2-yl]ethyl] benzoate Traditional Name: benzoic acid [(1R)-1-[(1R,2R)-1-keto-2-methyl-1,3-dithiolan-2-yl]ethyl] ester Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(SCCS1=O)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@]1(SCC[S@]1=O)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O3S2/c1-10(13(2)17-8-9-18(13)15)16-12(14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-,13-,18-/m1/s1