3-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]propyl 2-sulfanylidenepropanoate

Systemtic Name: 3-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]propyl 2-sulfanylidenepropanoate Openeye Name: 3-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]propyl 2-thioxopropanoate CAS Name: 2-sulfanylidenepropanoic acid 3-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]propyl ester IUPAC Name: 3-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]propyl 2-sulfanylidenepropanoate Traditional Name: 2-thioxopropionic acid 3-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-keto-cyclopentyl]propyl ester Formula: C20H26O7S MolecularWeight: 410.48124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(=O)OCCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(=S)C(=O)OCCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C20H26O7S/c1-13(28)20(24)25-9-5-8-16-17(22)10-18(23)19(16)27-12-14(21)11-26-15-6-3-2-4-7-15/h2-4,6-7,14,16,18-19,21,23H,5,8-12H2,1H3