methyl 4-[2-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]ethylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]ethylsulfanyl]butanoate Openeye Name: methyl 4-[2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]ethylsulfanyl]butanoate CAS Name: 4-[2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]ethylthio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]ethylsulfanyl]butanoate Traditional Name: 4-[2-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-keto-cyclopentyl]ethylthio]butyric acid methyl ester Formula: C21H30O7S MolecularWeight: 426.5237

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCSCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C21H30O7S/c1-26-20(25)8-5-10-29-11-9-17-18(23)12-19(24)21(17)28-14-15(22)13-27-16-6-3-2-4-7-16/h2-4,6-7,15,17,19,21-22,24H,5,8-14H2,1H3