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

Systemtic Name: 2-[3-oxidanyl-1-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)propyl]sulfanylethanoic acid Openeye Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-1-(2-oxocyclopentyl)propyl]sulfanylacetic acid CAS Name: 2-[[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-1-(2-oxocyclopentyl)propyl]thio]acetic acid IUPAC Name: 2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-1-(2-oxocyclopentyl)propyl]sulfanylacetic acid Traditional Name: 2-[[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-1-(2-ketocyclopentyl)propyl]thio]acetic acid Formula: C19H26O7S MolecularWeight: 398.47054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)C(C(CO)OCC(COC2=CC=CC=C2)O)SCC(=O)O

Isomeric SMILES

C1CC(C(=O)C1)C(C(CO)OCC(COC2=CC=CC=C2)O)SCC(=O)O

InChI

InChI=1S/C19H26O7S/c20-9-17(19(27-12-18(23)24)15-7-4-8-16(15)22)26-11-13(21)10-25-14-5-2-1-3-6-14/h1-3,5-6,13,15,17,19-21H,4,7-12H2,(H,23,24)