sodium (E)-4-oxidanyloctacos-2-enoate

Systemtic Name: sodium (E)-4-oxidanyloctacos-2-enoate Openeye Name: sodium (E)-4-hydroxyoctacos-2-enoate CAS Name: sodium (E)-4-hydroxy-2-octacosenoate IUPAC Name: sodium (E)-4-hydroxyoctacos-2-enoate Traditional Name: sodium (E)-4-hydroxyoctacos-2-enoate Formula: C28H53NaO3 MolecularWeight: 460.70839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC(C=CC(=O)[O-])O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C28H54O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26-28(30)31;/h25-27,29H,2-24H2,1H3,(H,30,31);/q;+1/p-1/b26-25+;