2-[4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]cyclohexyl]oxyethanoic acid

Systemtic Name: 2-[4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]cyclohexyl]oxyethanoic acid Openeye Name: 2-[4-(5-benzylsulfanyl-6-hydroxy-4-oxo-pyran-2-yl)cyclohexoxy]acetic acid CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2-pyranyl]cyclohexyl]oxyacetic acid IUPAC Name: 2-[4-(5-benzylsulfanyl-6-hydroxy-4-oxopyran-2-yl)cyclohexyl]oxyacetic acid Traditional Name: 2-[4-[5-(benzylthio)-6-hydroxy-4-keto-pyran-2-yl]cyclohexoxy]acetic acid Formula: C20H22O6S MolecularWeight: 390.45008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

C1CC(CCC1C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)OCC(=O)O

InChI

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