2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-phenylsulfanyl-propanoic acid Openeye Name: 3-phenylsulfanyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propanoic acid CAS Name: 3-(phenylthio)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propanoic acid IUPAC Name: 3-phenylsulfanyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid Traditional Name: 3-(phenylthio)-2-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-propionic acid Formula: C15H20O8S MolecularWeight: 360.3795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C15H20O8S/c16-6-9-11(17)12(18)13(19)15(22-9)23-10(14(20)21)7-24-8-4-2-1-3-5-8/h1-5,9-13,15-19H,6-7H2,(H,20,21)