methyl (12E)-3-oxidanyl-6-oxidanylidene-docosa-12,21-dien-10-ynoate

Systemtic Name: methyl (12E)-3-oxidanyl-6-oxidanylidene-docosa-12,21-dien-10-ynoate Openeye Name: methyl (12E)-3-hydroxy-6-oxo-docosa-12,21-dien-10-ynoate CAS Name: (12E)-3-hydroxy-6-oxodocosa-12,21-dien-10-ynoic acid methyl ester IUPAC Name: methyl (12E)-3-hydroxy-6-oxodocosa-12,21-dien-10-ynoate Traditional Name: (12E)-3-hydroxy-6-keto-docosa-12,21-dien-10-ynoic acid methyl ester Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC(=O)CCCC#CC=CCCCCCCCC=C)O

Isomeric SMILES

COC(=O)CC(CCC(=O)CCCC#C/C=C/CCCCCCCC=C)O

InChI

InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)18-19-22(25)20-23(26)27-2/h3,11-12,22,25H,1,4-10,15-20H2,2H3/b12-11+