2-[4-oxidanyl-2-oxidanylidene-3-[2-(phenylmethylsulfanyl)-2H-pyran-6-yl]cyclohexyl]oxyethanoic acid

Systemtic Name: 2-[4-oxidanyl-2-oxidanylidene-3-[2-(phenylmethylsulfanyl)-2H-pyran-6-yl]cyclohexyl]oxyethanoic acid Openeye Name: 2-[3-(2-benzylsulfanyl-2H-pyran-6-yl)-4-hydroxy-2-oxo-cyclohexoxy]acetic acid CAS Name: 2-[4-hydroxy-2-oxo-3-[2-(phenylmethylthio)-2H-pyran-6-yl]cyclohexyl]oxyacetic acid IUPAC Name: 2-[3-(2-benzylsulfanyl-2H-pyran-6-yl)-4-hydroxy-2-oxocyclohexyl]oxyacetic acid Traditional Name: 2-[3-[2-(benzylthio)-2H-pyran-6-yl]-4-hydroxy-2-keto-cyclohexoxy]acetic acid Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1O)C2=CC=CC(O2)SCC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

C1CC(C(=O)C(C1O)C2=CC=CC(O2)SCC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C20H22O6S/c21-14-9-10-16(25-11-17(22)23)20(24)19(14)15-7-4-8-18(26-15)27-12-13-5-2-1-3-6-13/h1-8,14,16,18-19,21H,9-12H2,(H,22,23)