sodium (E)-4-oxidanyltriacont-4-enoate

Systemtic Name: sodium (E)-4-oxidanyltriacont-4-enoate Openeye Name: sodium (E)-4-hydroxytriacont-4-enoate CAS Name: sodium (E)-4-hydroxy-4-triacontenoate IUPAC Name: sodium (E)-4-hydroxytriacont-4-enoate Traditional Name: sodium (E)-4-hydroxytriacont-4-enoate Formula: C30H57NaO3 MolecularWeight: 488.76155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)27-28-30(32)33;/h26,31H,2-25,27-28H2,1H3,(H,32,33);/q;+1/p-1/b29-26+;