5-oxidanyl-4-(4-oxidanylidenepentanoyloxy)-3-(phenylcarbonyloxy)-6-phenylsulfanyl-oxane-2-carboxylic acid

Systemtic Name: 5-oxidanyl-4-(4-oxidanylidenepentanoyloxy)-3-(phenylcarbonyloxy)-6-phenylsulfanyl-oxane-2-carboxylic acid Openeye Name: 3-benzoyloxy-5-hydroxy-4-(4-oxopentanoyloxy)-6-phenylsulfanyl-tetrahydropyran-2-carboxylic acid CAS Name: 3-benzoyloxy-4-(1,4-dioxopentoxy)-5-hydroxy-6-(phenylthio)-2-oxanecarboxylic acid IUPAC Name: 3-benzoyloxy-5-hydroxy-4-(4-oxopentanoyloxy)-6-phenylsulfanyloxane-2-carboxylic acid Traditional Name: 3-benzoyloxy-5-hydroxy-4-(4-ketopentanoyloxy)-6-(phenylthio)tetrahydropyran-2-carboxylic acid Formula: C24H24O9S MolecularWeight: 488.50696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)C(=O)O)SC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)CCC(=O)OC1C(C(OC(C1OC(=O)C2=CC=CC=C2)C(=O)O)SC3=CC=CC=C3)O

InChI

InChI=1S/C24H24O9S/c1-14(25)12-13-17(26)31-19-18(27)24(34-16-10-6-3-7-11-16)33-21(22(28)29)20(19)32-23(30)15-8-4-2-5-9-15/h2-11,18-21,24,27H,12-13H2,1H3,(H,28,29)