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

Systemtic Name: methyl (E)-7-[3-oxidanyl-5-oxidanylidene-2-(2-oxidanyl-3-phenoxy-propoxy)cyclopentyl]hept-4-enoate Openeye Name: methyl (E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-oxo-cyclopentyl]hept-4-enoate CAS Name: (E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]-4-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-oxocyclopentyl]hept-4-enoate Traditional Name: (E)-7-[3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-5-keto-cyclopentyl]hept-4-enoic acid methyl ester Formula: C22H30O7 MolecularWeight: 406.4694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC=CCCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CC/C=C/CCC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C22H30O7/c1-27-21(26)12-8-3-2-7-11-18-19(24)13-20(25)22(18)29-15-16(23)14-28-17-9-5-4-6-10-17/h2-6,9-10,16,18,20,22-23,25H,7-8,11-15H2,1H3/b3-2+