[(2S,3R,4S,5S)-4,5-diacetyloxy-2-phenylsulfanyl-oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2S,3R,4S,5S)-4,5-diacetyloxy-2-phenylsulfanyl-oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2S,3R,4S,5S)-4,5-diacetoxy-2-phenylsulfanyl-tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2S,3R,4S,5S)-4,5-diacetyloxy-2-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-4,5-diacetyloxy-2-phenylsulfanyloxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2S,3R,4S,5S)-4,5-diacetoxy-2-(phenylthio)tetrahydropyran-3-yl] ester Formula: C20H24O8S MolecularWeight: 424.46476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(COC1SC2=CC=CC=C2)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H]([C@H](CO[C@H]1SC2=CC=CC=C2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C20H24O8S/c1-12(21)9-10-17(24)28-19-18(27-14(3)23)16(26-13(2)22)11-25-20(19)29-15-7-5-4-6-8-15/h4-8,16,18-20H,9-11H2,1-3H3/t16-,18-,19+,20-/m0/s1