[(2S)-2,3-bis(oxidanyl)propyl] (5E,9Z)-6-bromanyl-21-methyl-docosa-5,9-dienoate

Systemtic Name: [(2S)-2,3-bis(oxidanyl)propyl] (5E,9Z)-6-bromanyl-21-methyl-docosa-5,9-dienoate Openeye Name: [(2S)-2,3-dihydroxypropyl] (5E,9Z)-6-bromo-21-methyl-docosa-5,9-dienoate CAS Name: (5E,9Z)-6-bromo-21-methyldocosa-5,9-dienoic acid [(2S)-2,3-dihydroxypropyl] ester IUPAC Name: [(2S)-2,3-dihydroxypropyl] (5E,9Z)-6-bromo-21-methyldocosa-5,9-dienoate Traditional Name: (5E,9Z)-6-bromo-21-methyl-docosa-5,9-dienoic acid [(2S)-2,3-dihydroxypropyl] ester Formula: C26H47BrO4 MolecularWeight: 503.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC=CCCC(=CCCCC(=O)OCC(CO)O)Br

Isomeric SMILES

CC(C)CCCCCCCCCC/C=C\CC/C(=C\CCCC(=O)OC[C@H](CO)O)/Br

InChI

InChI=1S/C26H47BrO4/c1-23(2)17-13-11-9-7-5-3-4-6-8-10-12-14-18-24(27)19-15-16-20-26(30)31-22-25(29)21-28/h10,12,19,23,25,28-29H,3-9,11,13-18,20-22H2,1-2H3/b12-10-,24-19+/t25-/m0/s1