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

Systemtic Name: [(2S,3R,4R,5R,6S)-2-methyl-4-oxidanyl-5-(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4R,5R,6S)-5-benzoyloxy-4-hydroxy-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C26H24O6S MolecularWeight: 464.53016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24O6S/c1-17-22(31-24(28)18-11-5-2-6-12-18)21(27)23(32-25(29)19-13-7-3-8-14-19)26(30-17)33-20-15-9-4-10-16-20/h2-17,21-23,26-27H,1H3/t17-,21+,22-,23+,26-/m0/s1