methyl 2-[5-(hydroxymethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl]-2-phenylsulfanyl-ethanoate

Systemtic Name: methyl 2-[5-(hydroxymethyl)-6-methyl-2-oxidanyl-4-oxidanylidene-pyran-3-yl]-2-phenylsulfanyl-ethanoate Openeye Name: methyl 2-[2-hydroxy-5-(hydroxymethyl)-6-methyl-4-oxo-pyran-3-yl]-2-phenylsulfanyl-acetate CAS Name: 2-[2-hydroxy-5-(hydroxymethyl)-6-methyl-4-oxo-3-pyranyl]-2-(phenylthio)acetic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-5-(hydroxymethyl)-6-methyl-4-oxopyran-3-yl]-2-phenylsulfanylacetate Traditional Name: 2-(2-hydroxy-4-keto-6-methyl-5-methylol-pyran-3-yl)-2-(phenylthio)acetic acid methyl ester Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=C(O1)O)C(C(=O)OC)SC2=CC=CC=C2)CO

Isomeric SMILES

CC1=C(C(=O)C(=C(O1)O)C(C(=O)OC)SC2=CC=CC=C2)CO

InChI

InChI=1S/C16H16O6S/c1-9-11(8-17)13(18)12(15(19)22-9)14(16(20)21-2)23-10-6-4-3-5-7-10/h3-7,14,17,19H,8H2,1-2H3