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

Systemtic Name: 2-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenethylthio)-2,3-dihydropyran-2-yl]phenoxy]acetic acid IUPAC Name: 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-2,3-dihydropyran-2-yl)phenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-4-keto-5-(phenethylthio)-2,3-dihydropyran-2-yl]phenoxy]acetic acid Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=C(C1=O)SCCC2=CC=CC=C2)O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C1C(OC(=C(C1=O)SCCC2=CC=CC=C2)O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C21H20O6S/c22-17-12-18(15-6-8-16(9-7-15)26-13-19(23)24)27-21(25)20(17)28-11-10-14-4-2-1-3-5-14/h1-9,18,25H,10-13H2,(H,23,24)