methyl (7E)-7-[3-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate

Systemtic Name: methyl (7E)-7-[3-[3-(3,4-dimethoxyphenyl)propyl]-4-methylsulfonyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]heptanoate Openeye Name: methyl (7E)-7-[3-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-4-methylsulfonyl-5-oxo-cyclopent-3-en-1-ylidene]heptanoate CAS Name: (7E)-7-[3-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-4-methylsulfonyl-5-oxo-1-cyclopent-3-enylidene]heptanoic acid methyl ester IUPAC Name: methyl (7E)-7-[3-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-4-methylsulfonyl-5-oxocyclopent-3-en-1-ylidene]heptanoate Traditional Name: (7E)-7-[3-[3-(3,4-dimethoxyphenyl)propyl]-2-hydroxy-5-keto-4-mesyl-cyclopent-3-en-1-ylidene]enanthic acid methyl ester Formula: C25H34O8S MolecularWeight: 494.59766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCC2=C(C(=O)C(=CCCCCCC(=O)OC)C2O)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCC2=C(C(=O)/C(=C/CCCCCC(=O)OC)/C2O)S(=O)(=O)C)OC

InChI

InChI=1S/C25H34O8S/c1-31-20-15-14-17(16-21(20)32-2)10-9-12-19-23(27)18(24(28)25(19)34(4,29)30)11-7-5-6-8-13-22(26)33-3/h11,14-16,23,27H,5-10,12-13H2,1-4H3/b18-11+