sodium; (9E,12E)-octadeca-9,12-dienoic acid; (E)-octadec-9-enoate

Systemtic Name: sodium; (9E,12E)-octadeca-9,12-dienoic acid; (E)-octadec-9-enoate Openeye Name: sodium; (9E,12E)-octadeca-9,12-dienoic acid; (E)-octadec-9-enoate CAS Name: sodium; (9E,12E)-octadeca-9,12-dienoic acid; (E)-9-octadecenoate IUPAC Name: sodium; (9E,12E)-octadeca-9,12-dienoic acid; (E)-octadec-9-enoate Traditional Name: sodium; (9E,12E)-octadeca-9,12-dienoic acid; (E)-octadec-9-enoate Formula: C36H65NaO4 MolecularWeight: 584.88867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)O.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)O.[Na+]

InChI

InChI=1S/C18H34O2.C18H32O2.Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+1/p-1/b10-9+;7-6+,10-9+;