methyl 7-[3-acetyloxy-2-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-5-oxidanylidene-cyclopenten-1-yl]heptanoate

Systemtic Name: methyl 7-[3-acetyloxy-2-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-5-oxidanylidene-cyclopenten-1-yl]heptanoate Openeye Name: methyl 7-[3-acetoxy-2-(1,2-dihydroxy-2-phenyl-ethyl)-5-oxo-cyclopenten-1-yl]heptanoate CAS Name: 7-[3-acetyloxy-2-(1,2-dihydroxy-2-phenylethyl)-5-oxo-1-cyclopentenyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[3-acetyloxy-2-(1,2-dihydroxy-2-phenylethyl)-5-oxocyclopenten-1-yl]heptanoate Traditional Name: 7-[3-acetoxy-2-(1,2-dihydroxy-2-phenyl-ethyl)-5-keto-cyclopenten-1-yl]enanthic acid methyl ester Formula: C23H30O7 MolecularWeight: 418.4801

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=O)C(=C1C(C(C2=CC=CC=C2)O)O)CCCCCCC(=O)OC

Isomeric SMILES

CC(=O)OC1CC(=O)C(=C1C(C(C2=CC=CC=C2)O)O)CCCCCCC(=O)OC

InChI

InChI=1S/C23H30O7/c1-15(24)30-19-14-18(25)17(12-8-3-4-9-13-20(26)29-2)21(19)23(28)22(27)16-10-6-5-7-11-16/h5-7,10-11,19,22-23,27-28H,3-4,8-9,12-14H2,1-2H3