S-phenyl (E,2R,3R)-3-oxidanyl-2-phenylmethoxy-hex-4-enethioate

Systemtic Name: S-phenyl (E,2R,3R)-3-oxidanyl-2-phenylmethoxy-hex-4-enethioate Openeye Name: S-phenyl (E,2R,3R)-2-benzyloxy-3-hydroxy-hex-4-enethioate CAS Name: (E,2R,3R)-3-hydroxy-2-phenylmethoxy-4-hexenethioic acid S-phenyl ester IUPAC Name: S-phenyl (E,2R,3R)-3-hydroxy-2-phenylmethoxyhex-4-enethioate Traditional Name: (E,2R,3R)-2-benzoxy-3-hydroxy-hex-4-enethioic acid S-phenyl ester Formula: C19H20O3S MolecularWeight: 328.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(C(=O)SC1=CC=CC=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

C/C=C/[C@H]([C@H](C(=O)SC1=CC=CC=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C19H20O3S/c1-2-9-17(20)18(22-14-15-10-5-3-6-11-15)19(21)23-16-12-7-4-8-13-16/h2-13,17-18,20H,14H2,1H3/b9-2+/t17-,18-/m1/s1