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

Systemtic Name: [(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-4-methanoyloxy-5-phenylmethoxy-6-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5R,6R)-5-benzyloxy-4-formyloxy-2-(hydroxymethyl)-6-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5R,6R)-4-formyloxy-2-(hydroxymethyl)-5-phenylmethoxy-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-4-formyloxy-2-(hydroxymethyl)-5-phenylmethoxy-6-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5R,6R)-5-benzoxy-4-formyloxy-2-methylol-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C27H26O7S MolecularWeight: 494.55614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2C(C(C(OC2SC3=CC=CC=C3)CO)OC(=O)C4=CC=CC=C4)OC=O

Isomeric SMILES

C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2SC3=CC=CC=C3)CO)OC(=O)C4=CC=CC=C4)OC=O

InChI

InChI=1S/C27H26O7S/c28-16-22-23(34-26(30)20-12-6-2-7-13-20)24(32-18-29)25(31-17-19-10-4-1-5-11-19)27(33-22)35-21-14-8-3-9-15-21/h1-15,18,22-25,27-28H,16-17H2/t22-,23-,24+,25-,27-/m1/s1