methyl (E,7E)-7-[3,4-bis(chloranyl)-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]hept-5-enoate

Systemtic Name: methyl (E,7E)-7-[3,4-bis(chloranyl)-2-octyl-2-oxidanyl-5-oxidanylidene-cyclopent-3-en-1-ylidene]hept-5-enoate Openeye Name: methyl (E,7E)-7-(3,4-dichloro-2-hydroxy-2-octyl-5-oxo-cyclopent-3-en-1-ylidene)hept-5-enoate CAS Name: (E,7E)-7-(3,4-dichloro-2-hydroxy-2-octyl-5-oxo-1-cyclopent-3-enylidene)-5-heptenoic acid methyl ester IUPAC Name: methyl (E,7E)-7-(3,4-dichloro-2-hydroxy-2-octyl-5-oxocyclopent-3-en-1-ylidene)hept-5-enoate Traditional Name: (E,7E)-7-(3,4-dichloro-2-hydroxy-5-keto-2-octyl-cyclopent-3-en-1-ylidene)hept-5-enoic acid methyl ester Formula: C21H30Cl2O4 MolecularWeight: 417.3665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=CC=CCCCC(=O)OC)C(=O)C(=C1Cl)Cl)O

Isomeric SMILES

CCCCCCCCC1(/C(=C\C=C\CCCC(=O)OC)/C(=O)C(=C1Cl)Cl)O

InChI

InChI=1S/C21H30Cl2O4/c1-3-4-5-6-9-12-15-21(26)16(19(25)18(22)20(21)23)13-10-7-8-11-14-17(24)27-2/h7,10,13,26H,3-6,8-9,11-12,14-15H2,1-2H3/b10-7+,16-13-