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

Systemtic Name: 2-[2-methyl-4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]ethanoic acid Openeye Name: 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]-2-methyl-phenoxy]acetic acid Formula: C22H20O6S MolecularWeight: 412.4556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C22H20O6S/c1-14-11-16(7-8-18(14)27-13-20(24)25)19-12-17(23)21(22(26)28-19)29-10-9-15-5-3-2-4-6-15/h2-8,11-12,26H,9-10,13H2,1H3,(H,24,25)