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

Systemtic Name: [(2S,3R,4S,5R,6R)-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-phenylsulfanyl-oxan-3-yl] benzoate Openeye Name: [(2S,3R,4S,5R,6R)-4-benzyloxy-6-(benzyloxymethyl)-5-hydroxy-2-phenylsulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2S,3R,4S,5R,6R)-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3R,4S,5R,6R)-4-benzoxy-6-(benzoxymethyl)-5-hydroxy-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C33H32O6S MolecularWeight: 556.66858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5)O

InChI

InChI=1S/C33H32O6S/c34-29-28(23-36-21-24-13-5-1-6-14-24)38-33(40-27-19-11-4-12-20-27)31(39-32(35)26-17-9-3-10-18-26)30(29)37-22-25-15-7-2-8-16-25/h1-20,28-31,33-34H,21-23H2/t28-,29-,30+,31-,33+/m1/s1