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

Systemtic Name: sodium (E)-4-oxidanylnonacos-2-enoate Openeye Name: sodium (E)-4-hydroxynonacos-2-enoate CAS Name: sodium (E)-4-hydroxy-2-nonacosenoate IUPAC Name: sodium (E)-4-hydroxynonacos-2-enoate Traditional Name: sodium (E)-4-hydroxynonacos-2-enoate Formula: C29H55NaO3 MolecularWeight: 474.73497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H56O3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28(30)26-27-29(31)32;/h26-28,30H,2-25H2,1H3,(H,31,32);/q;+1/p-1/b27-26+;