(4-methylsulfonylphenyl) (E)-7-[2-[3-(4-methylsulfanylphenoxy)-2-oxidanyl-propoxy]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate

Systemtic Name: (4-methylsulfonylphenyl) (E)-7-[2-[3-(4-methylsulfanylphenoxy)-2-oxidanyl-propoxy]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: (4-methylsulfonylphenyl) (E)-7-[3-hydroxy-2-[2-hydroxy-3-(4-methylsulfanylphenoxy)propoxy]-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-hydroxy-2-[2-hydroxy-3-[4-(methylthio)phenoxy]propoxy]-5-oxocyclopentyl]-5-heptenoic acid (4-methylsulfonylphenyl) ester IUPAC Name: (4-methylsulfonylphenyl) (E)-7-[3-hydroxy-2-[2-hydroxy-3-(4-methylsulfanylphenoxy)propoxy]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-hydroxy-2-[2-hydroxy-3-[4-(methylthio)phenoxy]propoxy]-5-keto-cyclopentyl]hept-5-enoic acid (4-mesylphenyl) ester Formula: C29H36O9S2 MolecularWeight: 592.72074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCC(COC2C(CC(=O)C2CC=CCCCC(=O)OC3=CC=C(C=C3)S(=O)(=O)C)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)OCC(COC2C(CC(=O)C2C/C=C/CCCC(=O)OC3=CC=C(C=C3)S(=O)(=O)C)O)O

InChI

InChI=1S/C29H36O9S2/c1-39-23-13-9-21(10-14-23)36-18-20(30)19-37-29-25(26(31)17-27(29)32)7-5-3-4-6-8-28(33)38-22-11-15-24(16-12-22)40(2,34)35/h3,5,9-16,20,25,27,29-30,32H,4,6-8,17-19H2,1-2H3/b5-3+