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

Systemtic Name: [(3S)-1-(1,3-dithian-2-yl)pentan-3-yl] benzoate Openeye Name: [(1S)-3-(1,3-dithian-2-yl)-1-ethyl-propyl] benzoate CAS Name: benzoic acid [(3S)-1-(1,3-dithian-2-yl)pentan-3-yl] ester IUPAC Name: [(3S)-1-(1,3-dithian-2-yl)pentan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-3-(1,3-dithian-2-yl)-1-ethyl-propyl] ester Formula: C16H22O2S2 MolecularWeight: 310.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1SCCCS1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@@H](CCC1SCCCS1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22O2S2/c1-2-14(9-10-15-19-11-6-12-20-15)18-16(17)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3/t14-/m0/s1