(3S,4R)-1,3,4-tris(oxidanyl)-6-phenylsulfanyl-hexan-2-one

Systemtic Name: (3S,4R)-1,3,4-tris(oxidanyl)-6-phenylsulfanyl-hexan-2-one Openeye Name: (3S,4R)-1,3,4-trihydroxy-6-phenylsulfanyl-hexan-2-one CAS Name: (3S,4R)-1,3,4-trihydroxy-6-(phenylthio)-2-hexanone IUPAC Name: (3S,4R)-1,3,4-trihydroxy-6-phenylsulfanylhexan-2-one Traditional Name: (3S,4R)-1,3,4-trihydroxy-6-(phenylthio)hexan-2-one Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(C(C(=O)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC[C@H]([C@@H](C(=O)CO)O)O

InChI

InChI=1S/C12H16O4S/c13-8-11(15)12(16)10(14)6-7-17-9-4-2-1-3-5-9/h1-5,10,12-14,16H,6-8H2/t10-,12+/m1/s1