methyl (7E,9E,11E)-14-(3-chloranylphenoxy)-6,13-bis(oxidanyl)tetradeca-7,9,11-trienoate

Systemtic Name: methyl (7E,9E,11E)-14-(3-chloranylphenoxy)-6,13-bis(oxidanyl)tetradeca-7,9,11-trienoate Openeye Name: methyl (7E,9E,11E)-14-(3-chlorophenoxy)-6,13-dihydroxy-tetradeca-7,9,11-trienoate CAS Name: (7E,9E,11E)-14-(3-chlorophenoxy)-6,13-dihydroxytetradeca-7,9,11-trienoic acid methyl ester IUPAC Name: methyl (7E,9E,11E)-14-(3-chlorophenoxy)-6,13-dihydroxytetradeca-7,9,11-trienoate Traditional Name: (7E,9E,11E)-14-(3-chlorophenoxy)-6,13-dihydroxy-tetradeca-7,9,11-trienoic acid methyl ester Formula: C21H27ClO5 MolecularWeight: 394.88908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(C=CC=CC=CC(COC1=CC(=CC=C1)Cl)O)O

Isomeric SMILES

COC(=O)CCCCC(/C=C/C=C/C=C/C(COC1=CC(=CC=C1)Cl)O)O

InChI

InChI=1S/C21H27ClO5/c1-26-21(25)14-7-6-11-18(23)10-4-2-3-5-12-19(24)16-27-20-13-8-9-17(22)15-20/h2-5,8-10,12-13,15,18-19,23-24H,6-7,11,14,16H2,1H3/b3-2+,10-4+,12-5+