methyl (2E,4E)-9,12-bis(oxidanyl)-11-oxidanylidene-icosa-2,4-dienoate

Systemtic Name: methyl (2E,4E)-9,12-bis(oxidanyl)-11-oxidanylidene-icosa-2,4-dienoate Openeye Name: methyl (2E,4E)-9,12-dihydroxy-11-oxo-icosa-2,4-dienoate CAS Name: (2E,4E)-9,12-dihydroxy-11-oxoeicosa-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E,4E)-9,12-dihydroxy-11-oxoicosa-2,4-dienoate Traditional Name: (2E,4E)-9,12-dihydroxy-11-keto-eicosa-2,4-dienoic acid methyl ester Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)CC(CCCC=CC=CC(=O)OC)O)O

Isomeric SMILES

CCCCCCCCC(C(=O)CC(CCC/C=C/C=C/C(=O)OC)O)O

InChI

InChI=1S/C21H36O5/c1-3-4-5-6-9-12-15-19(23)20(24)17-18(22)14-11-8-7-10-13-16-21(25)26-2/h7,10,13,16,18-19,22-23H,3-6,8-9,11-12,14-15,17H2,1-2H3/b10-7+,16-13+