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

Systemtic Name: methyl (E)-7-[2-[3-(3-chloranylphenoxy)-2-oxidanyl-propoxy]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-[3-(3-chlorophenoxy)-2-hydroxy-propoxy]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-[3-(3-chlorophenoxy)-2-hydroxypropoxy]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[3-(3-chlorophenoxy)-2-hydroxypropoxy]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-[3-(3-chlorophenoxy)-2-hydroxy-propoxy]-3-hydroxy-5-keto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C22H29ClO7 MolecularWeight: 440.91446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(C(CC1=O)O)OCC(COC2=CC(=CC=C2)Cl)O

InChI

InChI=1S/C22H29ClO7/c1-28-21(27)10-5-3-2-4-9-18-19(25)12-20(26)22(18)30-14-16(24)13-29-17-8-6-7-15(23)11-17/h2,4,6-8,11,16,18,20,22,24,26H,3,5,9-10,12-14H2,1H3/b4-2+