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

Systemtic Name: 2-[2-methyl-4-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-pyran-2-yl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-4-oxo-5-[(2-propan-2-ylphenyl)thio]-2-pyranyl]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[6-hydroxy-4-oxo-5-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-4-keto-5-(o-cumenylthio)pyran-2-yl]-2-methyl-phenoxy]acetic acid Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C)OCC(=O)O

InChI

InChI=1S/C23H22O6S/c1-13(2)16-6-4-5-7-20(16)30-22-17(24)11-19(29-23(22)27)15-8-9-18(14(3)10-15)28-12-21(25)26/h4-11,13,27H,12H2,1-3H3,(H,25,26)