[(2S,3S,4R,5R,6S)-5-acetyloxy-2-methyl-6-methylsulfanyl-4-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2S,3S,4R,5R,6S)-5-acetyloxy-2-methyl-6-methylsulfanyl-4-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2S,3S,4R,5R,6S)-5-acetoxy-4-benzyloxy-2-methyl-6-methylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,4R,5R,6S)-5-acetyloxy-2-methyl-6-(methylthio)-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-5-acetyloxy-2-methyl-6-methylsulfanyl-4-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,4R,5R,6S)-5-acetoxy-4-benzoxy-2-methyl-6-(methylthio)tetrahydropyran-3-yl] ester Formula: C23H26O6S MolecularWeight: 430.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26O6S/c1-15-19(29-22(25)18-12-8-5-9-13-18)20(26-14-17-10-6-4-7-11-17)21(28-16(2)24)23(27-15)30-3/h4-13,15,19-21,23H,14H2,1-3H3/t15-,19-,20+,21+,23-/m0/s1