[2-(hydroxymethyl)-4-methoxy-5-oxidanyl-6-(phenylmethylsulfanyl)oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [2-(hydroxymethyl)-4-methoxy-5-oxidanyl-6-(phenylmethylsulfanyl)oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [6-benzylsulfanyl-5-hydroxy-2-(hydroxymethyl)-4-methoxy-tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-hydroxy-2-(hydroxymethyl)-4-methoxy-6-(phenylmethylthio)-3-oxanyl] ester IUPAC Name: [6-benzylsulfanyl-5-hydroxy-2-(hydroxymethyl)-4-methoxyoxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [6-(benzylthio)-5-hydroxy-4-methoxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C19H26O7S MolecularWeight: 398.47054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(OC(C(C1OC)O)SCC2=CC=CC=C2)CO

Isomeric SMILES

CC(=O)CCC(=O)OC1C(OC(C(C1OC)O)SCC2=CC=CC=C2)CO

InChI

InChI=1S/C19H26O7S/c1-12(21)8-9-15(22)26-17-14(10-20)25-19(16(23)18(17)24-2)27-11-13-6-4-3-5-7-13/h3-7,14,16-20,23H,8-11H2,1-2H3