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

Systemtic Name: 2-[3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]ethanoic acid Openeye Name: 2-[3-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenoxy]acetic acid CAS Name: 2-[3-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenoxy]acetic acid IUPAC Name: 2-[3-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenoxy]acetic acid Traditional Name: 2-[3-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenoxy]acetic acid Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC(=CC=C3)OCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC(=CC=C3)OCC(=O)O)O

InChI

InChI=1S/C21H18O6S/c22-17-12-18(15-7-4-8-16(11-15)26-13-19(23)24)27-21(25)20(17)28-10-9-14-5-2-1-3-6-14/h1-8,11-12,25H,9-10,13H2,(H,23,24)