S-[(2S)-3-phenylmethoxy-2-sulfooxy-propyl] ethanethioate

Systemtic Name: S-[(2S)-3-phenylmethoxy-2-sulfooxy-propyl] ethanethioate Openeye Name: S-[(2S)-3-benzyloxy-2-sulfooxy-propyl] ethanethioate CAS Name: ethanethioic acid S-[(2S)-3-phenylmethoxy-2-sulfooxypropyl] ester IUPAC Name: S-[(2S)-3-phenylmethoxy-2-sulfooxypropyl] ethanethioate Traditional Name: ethanethioic acid S-[(2S)-3-benzoxy-2-sulfoxy-propyl] ester Formula: C12H16O6S2 MolecularWeight: 320.38184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(COCC1=CC=CC=C1)OS(=O)(=O)O

Isomeric SMILES

CC(=O)SC[C@H](COCC1=CC=CC=C1)OS(=O)(=O)O

InChI

InChI=1S/C12H16O6S2/c1-10(13)19-9-12(18-20(14,15)16)8-17-7-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,15,16)/t12-/m0/s1