[(2S,3S,4S,5R)-3,5,6-triacetyloxy-4-phenylmethoxy-thian-2-yl]methyl ethanoate

Systemtic Name: [(2S,3S,4S,5R)-3,5,6-triacetyloxy-4-phenylmethoxy-thian-2-yl]methyl ethanoate Openeye Name: [(2S,3S,4S,5R)-3,5,6-triacetoxy-4-benzyloxy-tetrahydrothiopyran-2-yl]methyl acetate CAS Name: acetic acid [(2S,3S,4S,5R)-3,5,6-triacetyloxy-4-phenylmethoxy-2-thianyl]methyl ester IUPAC Name: [(2S,3S,4S,5R)-3,5,6-triacetyloxy-4-phenylmethoxythian-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3S,4S,5R)-3,5,6-triacetoxy-4-benzoxy-tetrahydrothiopyran-2-yl]methyl ester Formula: C21H26O9S MolecularWeight: 454.49074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(S1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]1[C@H]([C@@H]([C@H](C(S1)OC(=O)C)OC(=O)C)OCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C21H26O9S/c1-12(22)26-11-17-18(28-13(2)23)19(27-10-16-8-6-5-7-9-16)20(29-14(3)24)21(31-17)30-15(4)25/h5-9,17-21H,10-11H2,1-4H3/t17-,18+,19-,20+,21?/m0/s1