2-(3-methyl-6-oxidanyl-4-oxidanylidene-5-phenylsulfanyl-pyran-2-yl)-2-phenoxy-ethanoic acid

Systemtic Name: 2-(3-methyl-6-oxidanyl-4-oxidanylidene-5-phenylsulfanyl-pyran-2-yl)-2-phenoxy-ethanoic acid Openeye Name: 2-(6-hydroxy-3-methyl-4-oxo-5-phenylsulfanyl-pyran-2-yl)-2-phenoxy-acetic acid CAS Name: 2-[6-hydroxy-3-methyl-4-oxo-5-(phenylthio)-2-pyranyl]-2-phenoxyacetic acid IUPAC Name: 2-(6-hydroxy-3-methyl-4-oxo-5-phenylsulfanylpyran-2-yl)-2-phenoxyacetic acid Traditional Name: 2-[6-hydroxy-4-keto-3-methyl-5-(phenylthio)pyran-2-yl]-2-phenoxy-acetic acid Formula: C20H16O6S MolecularWeight: 384.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)SC2=CC=CC=C2)O)C(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC(=C(C1=O)SC2=CC=CC=C2)O)C(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C20H16O6S/c1-12-15(21)18(27-14-10-6-3-7-11-14)20(24)26-16(12)17(19(22)23)25-13-8-4-2-5-9-13/h2-11,17,24H,1H3,(H,22,23)