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

Systemtic Name: methyl 7-[2-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl]heptanoate Openeye Name: methyl 7-[2-(1,2-dihydroxy-2-phenyl-ethyl)-3-hydroxy-5-oxo-cyclopenten-1-yl]heptanoate CAS Name: 7-[2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-5-oxo-1-cyclopentenyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate Traditional Name: 7-[2-(1,2-dihydroxy-2-phenyl-ethyl)-3-hydroxy-5-keto-cyclopenten-1-yl]enanthic acid methyl ester Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC1=C(C(CC1=O)O)C(C(C2=CC=CC=C2)O)O

Isomeric SMILES

COC(=O)CCCCCCC1=C(C(CC1=O)O)C(C(C2=CC=CC=C2)O)O

InChI

InChI=1S/C21H28O6/c1-27-18(24)12-8-3-2-7-11-15-16(22)13-17(23)19(15)21(26)20(25)14-9-5-4-6-10-14/h4-6,9-10,17,20-21,23,25-26H,2-3,7-8,11-13H2,1H3