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

Systemtic Name: 2-[3-oxidanyl-1-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)butyl]sulfanylethanoic acid Openeye Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-1-(2-oxocyclopentyl)butyl]sulfanylacetic acid CAS Name: 2-[[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-1-(2-oxocyclopentyl)butyl]thio]acetic acid IUPAC Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-1-(2-oxocyclopentyl)butyl]sulfanylacetic acid Traditional Name: 2-[[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-1-(2-ketocyclopentyl)butyl]thio]acetic acid Formula: C20H28O7S MolecularWeight: 412.49712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1CCCC1=O)SCC(=O)O)OCC(COC2=CC=CC=C2)O)O

Isomeric SMILES

CC(C(C(C1CCCC1=O)SCC(=O)O)OCC(COC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H28O7S/c1-13(21)19(20(28-12-18(24)25)16-8-5-9-17(16)23)27-11-14(22)10-26-15-6-3-2-4-7-15/h2-4,6-7,13-14,16,19-22H,5,8-12H2,1H3,(H,24,25)