S-[(2R,3R)-5,5-dimethoxy-3-phenylmethoxy-2-sulfooxy-pentyl] ethanethioate

Systemtic Name: S-[(2R,3R)-5,5-dimethoxy-3-phenylmethoxy-2-sulfooxy-pentyl] ethanethioate Openeye Name: S-[(2R,3R)-3-benzyloxy-5,5-dimethoxy-2-sulfooxy-pentyl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3R)-5,5-dimethoxy-3-phenylmethoxy-2-sulfooxypentyl] ester IUPAC Name: S-[(2R,3R)-5,5-dimethoxy-3-phenylmethoxy-2-sulfooxypentyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3R)-3-benzoxy-5,5-dimethoxy-2-sulfoxy-pentyl] ester Formula: C16H24O8S2 MolecularWeight: 408.48696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(CC(OC)OC)OCC1=CC=CC=C1)OS(=O)(=O)O

Isomeric SMILES

CC(=O)SC[C@@H]([C@@H](CC(OC)OC)OCC1=CC=CC=C1)OS(=O)(=O)O

InChI

InChI=1S/C16H24O8S2/c1-12(17)25-11-15(24-26(18,19)20)14(9-16(21-2)22-3)23-10-13-7-5-4-6-8-13/h4-8,14-16H,9-11H2,1-3H3,(H,18,19,20)/t14-,15+/m1/s1