2-[3-oxidanyl-1-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)butyl]sulfonylethanoate

Systemtic Name: 2-[3-oxidanyl-1-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)butyl]sulfonylethanoate Openeye Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-1-(2-oxocyclopentyl)butyl]sulfonylacetate CAS Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-1-(2-oxocyclopentyl)butyl]sulfonylacetate IUPAC Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-1-(2-oxocyclopentyl)butyl]sulfonylacetate Traditional Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-1-(2-ketocyclopentyl)butyl]sulfonylacetate Formula: C20H27O9S- MolecularWeight: 443.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1CCCC1=O)S(=O)(=O)CC(=O)[O-])OCC(COC2=CC=CC=C2)O)O

Isomeric SMILES

CC(C(C(C1CCCC1=O)S(=O)(=O)CC(=O)[O-])OCC(COC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H28O9S/c1-13(21)19(29-11-14(22)10-28-15-6-3-2-4-7-15)20(16-8-5-9-17(16)23)30(26,27)12-18(24)25/h2-4,6-7,13-14,16,19-22H,5,8-12H2,1H3,(H,24,25)/p-1