methyl 2-[3-[(1R,2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]sulfanylpropylsulfanyl]ethanoate

Systemtic Name: methyl 2-[3-[(1R,2S,3R)-3-oxidanyl-5-oxidanylidene-2-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]sulfanylpropylsulfanyl]ethanoate Openeye Name: methyl 2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-5-oxo-cyclopentyl]sulfanylpropylsulfanyl]acetate CAS Name: 2-[3-[[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]thio]propylthio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetate Traditional Name: 2-[3-[[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-5-keto-cyclopentyl]thio]propylthio]acetic acid methyl ester Formula: C21H28O6S2 MolecularWeight: 440.57342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCSC1C(C(CC1=O)O)C=CC(COC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CSCCCS[C@@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C21H28O6S2/c1-26-20(25)14-28-10-5-11-29-21-17(18(23)12-19(21)24)9-8-15(22)13-27-16-6-3-2-4-7-16/h2-4,6-9,15,17-18,21-23H,5,10-14H2,1H3/b9-8+/t15-,17+,18-,21-/m1/s1