4-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]butylsulfonyl propanoate

Systemtic Name: 4-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]butylsulfonyl propanoate Openeye Name: 4-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]butylsulfonyl propanoate CAS Name: propanoic acid 4-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]butylsulfonyl ester IUPAC Name: 4-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]butylsulfonyl propanoate Traditional Name: propionic acid 4-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-keto-cyclopentyl]butylsulfonyl ester Formula: C21H30O9S MolecularWeight: 458.5225

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OS(=O)(=O)CCCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

CCC(=O)OS(=O)(=O)CCCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C21H30O9S/c1-2-20(25)30-31(26,27)11-7-6-10-17-18(23)12-19(24)21(17)29-14-15(22)13-28-16-8-4-3-5-9-16/h3-5,8-9,15,17,19,21-22,24H,2,6-7,10-14H2,1H3