4-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]butyl 2-sulfanylidenepropanoate

Systemtic Name: 4-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]butyl 2-sulfanylidenepropanoate Openeye Name: 4-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]butyl 2-thioxopropanoate CAS Name: 2-sulfanylidenepropanoic acid 4-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]butyl ester IUPAC Name: 4-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]butyl 2-sulfanylidenepropanoate Traditional Name: 2-thioxopropionic acid 4-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-keto-cyclopentyl]butyl ester Formula: C21H28O7S MolecularWeight: 424.50782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C(=O)OCCCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(=S)C(=O)OCCCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C21H28O7S/c1-14(29)21(25)26-10-6-5-9-17-18(23)11-19(24)20(17)28-13-15(22)12-27-16-7-3-2-4-8-16/h2-4,7-8,15,17,19-20,22,24H,5-6,9-13H2,1H3