[(2S,3S,4R,6S)-6-methoxy-2-methyl-5-methylsulfanylcarbothioyloxy-4-oxidanyl-oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,6S)-6-methoxy-2-methyl-5-methylsulfanylcarbothioyloxy-4-oxidanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-5-methylsulfanylcarbothioyloxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-5-[(methylthio)-sulfanylidenemethoxy]-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-5-methylsulfanylcarbothioyloxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,6S)-4-hydroxy-6-methoxy-2-methyl-5-(methylthio)carbothioyloxy-tetrahydropyran-3-yl] ester Formula: C16H20O6S2 MolecularWeight: 372.4564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6S2/c1-9-12(21-14(18)10-7-5-4-6-8-10)11(17)13(15(19-2)20-9)22-16(23)24-3/h4-9,11-13,15,17H,1-3H3/t9-,11+,12+,13?,15-/m0/s1