sodium (Z)-4-oxidanylheptacos-4-enoate

Systemtic Name: sodium (Z)-4-oxidanylheptacos-4-enoate Openeye Name: sodium (Z)-4-hydroxyheptacos-4-enoate CAS Name: sodium (Z)-4-hydroxy-4-heptacosenoate IUPAC Name: sodium (Z)-4-hydroxyheptacos-4-enoate Traditional Name: sodium (Z)-4-hydroxyheptacos-4-enoate Formula: C27H51NaO3 MolecularWeight: 446.68181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC=C(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC/C=C(/CCC(=O)[O-])\O.[Na+]

InChI

InChI=1S/C27H52O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)24-25-27(29)30;/h23,28H,2-22,24-25H2,1H3,(H,29,30);/q;+1/p-1/b26-23-;