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

Systemtic Name: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-4-oxidanyl-5-phenylmethoxy-2-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5S,6R)-5-benzyloxy-4-hydroxy-6-(hydroxymethyl)-2-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-phenylmethoxy-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-5-phenylmethoxy-2-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5S,6R)-5-benzoxy-4-hydroxy-6-methylol-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C26H26O6S MolecularWeight: 466.54604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(OC(C(C2O)OC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)CO

Isomeric SMILES

C1=CC=C(C=C1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)OC(=O)C3=CC=CC=C3)SC4=CC=CC=C4)CO

InChI

InChI=1S/C26H26O6S/c27-16-21-23(30-17-18-10-4-1-5-11-18)22(28)24(32-25(29)19-12-6-2-7-13-19)26(31-21)33-20-14-8-3-9-15-20/h1-15,21-24,26-28H,16-17H2/t21-,22+,23-,24-,26+/m1/s1