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

Systemtic Name: [(2R,3R,4S,6S)-6-methoxy-2-methyl-3-sulfanyl-oxan-4-yl] benzoate Openeye Name: [(2R,3R,4S,6S)-6-methoxy-2-methyl-3-sulfanyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,6S)-3-mercapto-6-methoxy-2-methyl-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,6S)-6-methoxy-2-methyl-3-sulfanyloxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,6S)-3-mercapto-6-methoxy-2-methyl-tetrahydropyran-4-yl] ester Formula: C14H18O4S MolecularWeight: 282.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O4S/c1-9-13(19)11(8-12(16-2)17-9)18-14(15)10-6-4-3-5-7-10/h3-7,9,11-13,19H,8H2,1-2H3/t9-,11+,12+,13-/m1/s1