sodium (5E,9Z)-6-bromanyl-21-methyl-docosa-5,9-dienoate

Systemtic Name: sodium (5E,9Z)-6-bromanyl-21-methyl-docosa-5,9-dienoate Openeye Name: sodium (5E,9Z)-6-bromo-21-methyl-docosa-5,9-dienoate CAS Name: sodium (5E,9Z)-6-bromo-21-methyldocosa-5,9-dienoate IUPAC Name: sodium (5E,9Z)-6-bromo-21-methyldocosa-5,9-dienoate Traditional Name: sodium (5E,9Z)-6-bromo-21-methyl-docosa-5,9-dienoate Formula: C23H40BrNaO2 MolecularWeight: 451.45627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC=CCCC(=CCCCC(=O)[O-])Br.[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCC/C=C\CC/C(=C\CCCC(=O)[O-])/Br.[Na+]

InChI

InChI=1S/C23H41BrO2.Na/c1-21(2)17-13-11-9-7-5-3-4-6-8-10-12-14-18-22(24)19-15-16-20-23(25)26;/h10,12,19,21H,3-9,11,13-18,20H2,1-2H3,(H,25,26);/q;+1/p-1/b12-10-,22-19+;