1-[(2S,3R,4S,5R)-5-oxidanyl-3,4-bis(phenylmethoxy)thian-2-yl]propan-2-one

Systemtic Name: 1-[(2S,3R,4S,5R)-5-oxidanyl-3,4-bis(phenylmethoxy)thian-2-yl]propan-2-one Openeye Name: 1-[(2S,3R,4S,5R)-3,4-dibenzyloxy-5-hydroxy-tetrahydrothiopyran-2-yl]propan-2-one CAS Name: 1-[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-thianyl]-2-propanone IUPAC Name: 1-[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(phenylmethoxy)thian-2-yl]propan-2-one Traditional Name: 1-[(2S,3R,4S,5R)-3,4-dibenzoxy-5-hydroxy-tetrahydrothiopyran-2-yl]acetone Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(C(C(CS1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C[C@H]1[C@@H]([C@H]([C@H](CS1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26O4S/c1-16(23)12-20-22(26-14-18-10-6-3-7-11-18)21(19(24)15-27-20)25-13-17-8-4-2-5-9-17/h2-11,19-22,24H,12-15H2,1H3/t19-,20-,21-,22-/m0/s1