2-[(1S,2S)-1-oxidanylidene-1,3-dithian-2-yl]propan-2-yl benzoate

Systemtic Name: 2-[(1S,2S)-1-oxidanylidene-1,3-dithian-2-yl]propan-2-yl benzoate Openeye Name: [1-methyl-1-[(1S,2S)-1-oxo-1,3-dithian-2-yl]ethyl] benzoate CAS Name: benzoic acid 2-[(1S,2S)-1-oxo-1,3-dithian-2-yl]propan-2-yl ester IUPAC Name: 2-[(1S,2S)-1-oxo-1,3-dithian-2-yl]propan-2-yl benzoate Traditional Name: benzoic acid [1-[(1S,2S)-1-keto-1,3-dithian-2-yl]-1-methyl-ethyl] ester Formula: C14H18O3S2 MolecularWeight: 298.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1SCCCS1=O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S2/c1-14(2,13-18-9-6-10-19(13)16)17-12(15)11-7-4-3-5-8-11/h3-5,7-8,13H,6,9-10H2,1-2H3/t13-,19-/m0/s1