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

Systemtic Name: methyl (E)-7-[2-[3-(2-chloranylphenoxy)-2-oxidanyl-propoxy]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[2-[3-(2-chlorophenoxy)-2-hydroxy-propoxy]-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[2-[3-(2-chlorophenoxy)-2-hydroxypropoxy]-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[2-[3-(2-chlorophenoxy)-2-hydroxypropoxy]-3-hydroxy-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[2-[3-(2-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=C2Cl)O

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(C(CC1=O)O)OCC(COC2=CC=CC=C2Cl)O

InChI

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