2-[4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)-2,3-dihydropyran-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)-2,3-dihydropyran-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2,3-dihydropyran-2-yl)phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2,3-dihydropyran-2-yl]phenoxy]acetic acid IUPAC Name: 2-[4-(5-benzylsulfanyl-6-hydroxy-4-oxo-2,3-dihydropyran-2-yl)phenoxy]acetic acid Traditional Name: 2-[4-[5-(benzylthio)-6-hydroxy-4-keto-2,3-dihydropyran-2-yl]phenoxy]acetic acid Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C1C(OC(=C(C1=O)SCC2=CC=CC=C2)O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C20H18O6S/c21-16-10-17(14-6-8-15(9-7-14)25-11-18(22)23)26-20(24)19(16)27-12-13-4-2-1-3-5-13/h1-9,17,24H,10-12H2,(H,22,23)