[(2R,3S,4R,6S)-6-methoxy-2-methyl-3-methylsulfanyl-oxan-4-yl] benzoate

Systemtic Name: [(2R,3S,4R,6S)-6-methoxy-2-methyl-3-methylsulfanyl-oxan-4-yl] benzoate Openeye Name: [(2R,3S,4R,6S)-6-methoxy-2-methyl-3-methylsulfanyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R,6S)-6-methoxy-2-methyl-3-(methylthio)-4-oxanyl] ester IUPAC Name: [(2R,3S,4R,6S)-6-methoxy-2-methyl-3-methylsulfanyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,6S)-6-methoxy-2-methyl-3-(methylthio)tetrahydropyran-4-yl] ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H](C[C@H](O1)OC)OC(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C15H20O4S/c1-10-14(20-3)12(9-13(17-2)18-10)19-15(16)11-7-5-4-6-8-11/h4-8,10,12-14H,9H2,1-3H3/t10-,12-,13+,14+/m1/s1