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

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl]phenoxy]ethanoic acid Openeye Name: 2-[4-[6-hydroxy-3-(hydroxymethyl)-4-oxo-5-phenethylsulfanyl-pyran-2-yl]phenoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-3-(hydroxymethyl)-4-oxo-5-(phenethylthio)-2-pyranyl]phenoxy]acetic acid IUPAC Name: 2-[4-[6-hydroxy-3-(hydroxymethyl)-4-oxo-5-phenethylsulfanylpyran-2-yl]phenoxy]acetic acid Traditional Name: 2-[4-[6-hydroxy-4-keto-3-methylol-5-(phenethylthio)pyran-2-yl]phenoxy]acetic acid Formula: C22H20O7S MolecularWeight: 428.455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=C(C2=O)CO)C3=CC=C(C=C3)OCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=C(C2=O)CO)C3=CC=C(C=C3)OCC(=O)O)O

InChI

InChI=1S/C22H20O7S/c23-12-17-19(26)21(30-11-10-14-4-2-1-3-5-14)22(27)29-20(17)15-6-8-16(9-7-15)28-13-18(24)25/h1-9,23,27H,10-13H2,(H,24,25)