ethyl (E,4R,5S,6R)-6-(1,3-dithiolan-2-yl)-6-oxidanyl-5-phenylmethoxy-4-propoxy-hex-2-enoate

Systemtic Name: ethyl (E,4R,5S,6R)-6-(1,3-dithiolan-2-yl)-6-oxidanyl-5-phenylmethoxy-4-propoxy-hex-2-enoate Openeye Name: ethyl (E,4R,5S,6R)-5-benzyloxy-6-(1,3-dithiolan-2-yl)-6-hydroxy-4-propoxy-hex-2-enoate CAS Name: (E,4R,5S,6R)-6-(1,3-dithiolan-2-yl)-6-hydroxy-5-phenylmethoxy-4-propoxy-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4R,5S,6R)-6-(1,3-dithiolan-2-yl)-6-hydroxy-5-phenylmethoxy-4-propoxyhex-2-enoate Traditional Name: (E,4R,5S,6R)-5-benzoxy-6-(1,3-dithiolan-2-yl)-6-hydroxy-4-propoxy-hex-2-enoic acid ethyl ester Formula: C21H30O5S2 MolecularWeight: 426.5899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C=CC(=O)OCC)C(C(C1SCCS1)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCO[C@H](/C=C/C(=O)OCC)[C@H]([C@H](C1SCCS1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30O5S2/c1-3-12-25-17(10-11-18(22)24-4-2)20(19(23)21-27-13-14-28-21)26-15-16-8-6-5-7-9-16/h5-11,17,19-21,23H,3-4,12-15H2,1-2H3/b11-10+/t17-,19-,20-/m1/s1