2-[2-(hydroxymethyl)-4-[6-oxidanyl-4-oxidanylidene-5-(2-phenylsulfanyl-1-propan-2-yloxy-ethyl)pyran-2-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(hydroxymethyl)-4-[6-oxidanyl-4-oxidanylidene-5-(2-phenylsulfanyl-1-propan-2-yloxy-ethyl)pyran-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[6-hydroxy-5-(1-isopropoxy-2-phenylsulfanyl-ethyl)-4-oxo-pyran-2-yl]-2-(hydroxymethyl)phenoxy]acetic acid CAS Name: 2-[2-(hydroxymethyl)-4-[6-hydroxy-4-oxo-5-[2-(phenylthio)-1-propan-2-yloxyethyl]-2-pyranyl]phenoxy]acetic acid IUPAC Name: 2-[2-(hydroxymethyl)-4-[6-hydroxy-4-oxo-5-(2-phenylsulfanyl-1-propan-2-yloxyethyl)pyran-2-yl]phenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-5-[1-isopropoxy-2-(phenylthio)ethyl]-4-keto-pyran-2-yl]-2-methylol-phenoxy]acetic acid Formula: C25H26O8S MolecularWeight: 486.53414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CSC1=CC=CC=C1)C2=C(OC(=CC2=O)C3=CC(=C(C=C3)OCC(=O)O)CO)O

Isomeric SMILES

CC(C)OC(CSC1=CC=CC=C1)C2=C(OC(=CC2=O)C3=CC(=C(C=C3)OCC(=O)O)CO)O

InChI

InChI=1S/C25H26O8S/c1-15(2)32-22(14-34-18-6-4-3-5-7-18)24-19(27)11-21(33-25(24)30)16-8-9-20(17(10-16)12-26)31-13-23(28)29/h3-11,15,22,26,30H,12-14H2,1-2H3,(H,28,29)