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

Systemtic Name: 2-[4-(3-methyl-6-oxidanyl-4-oxidanylidene-5-phenylsulfanyl-pyran-2-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(6-hydroxy-3-methyl-4-oxo-5-phenylsulfanyl-pyran-2-yl)phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-3-methyl-4-oxo-5-(phenylthio)-2-pyranyl]phenoxy]acetic acid IUPAC Name: 2-[4-(6-hydroxy-3-methyl-4-oxo-5-phenylsulfanylpyran-2-yl)phenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-4-keto-3-methyl-5-(phenylthio)pyran-2-yl]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)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H16O6S/c1-12-17(23)19(27-15-5-3-2-4-6-15)20(24)26-18(12)13-7-9-14(10-8-13)25-11-16(21)22/h2-10,24H,11H2,1H3,(H,21,22)