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

Systemtic Name: 3-oxidanyl-2-[4-[6-oxidanyl-4-oxidanylidene-5-(2-phenylsulfanyl-1-propan-2-yloxy-ethyl)pyran-2-yl]phenoxy]propanoic acid Openeye Name: 3-hydroxy-2-[4-[6-hydroxy-5-(1-isopropoxy-2-phenylsulfanyl-ethyl)-4-oxo-pyran-2-yl]phenoxy]propanoic acid CAS Name: 3-hydroxy-2-[4-[6-hydroxy-4-oxo-5-[2-(phenylthio)-1-propan-2-yloxyethyl]-2-pyranyl]phenoxy]propanoic acid IUPAC Name: 3-hydroxy-2-[4-[6-hydroxy-4-oxo-5-(2-phenylsulfanyl-1-propan-2-yloxyethyl)pyran-2-yl]phenoxy]propanoic acid Traditional Name: 3-hydroxy-2-[4-[6-hydroxy-5-[1-isopropoxy-2-(phenylthio)ethyl]-4-keto-pyran-2-yl]phenoxy]propionic 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)OC(CO)C(=O)O)O

Isomeric SMILES

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

InChI

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