[(5S,6S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxepan-5-yl] ethanoate

Systemtic Name: [(5S,6S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxepan-5-yl] ethanoate Openeye Name: [(5S,6S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxepan-5-yl] acetate CAS Name: acetic acid [(5S,6S)-2,2-dimethyl-6-(phenylthio)-1,3-dioxepan-5-yl] ester IUPAC Name: [(5S,6S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxepan-5-yl] acetate Traditional Name: acetic acid [(5S,6S)-2,2-dimethyl-6-(phenylthio)-1,3-dioxepan-5-yl] ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(OCC1SC2=CC=CC=C2)(C)C

Isomeric SMILES

CC(=O)O[C@H]1COC(OC[C@@H]1SC2=CC=CC=C2)(C)C

InChI

InChI=1S/C15H20O4S/c1-11(16)19-13-9-17-15(2,3)18-10-14(13)20-12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/t13-,14-/m0/s1