zinc (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: zinc (E)-12-oxidanyloctadec-9-enoate Openeye Name: zinc (E)-12-hydroxyoctadec-9-enoate CAS Name: zinc (E)-12-hydroxy-9-octadecenoate IUPAC Name: zinc (E)-12-hydroxyoctadec-9-enoate Traditional Name: zinc (E)-12-hydroxyoctadec-9-enoate Formula: C36H66O6Zn MolecularWeight: 660.31464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.[Zn+2]

Isomeric SMILES

CCCCCCC(O)C/C=C/CCCCCCCC(=O)[O-].CCCCCCC(O)C/C=C/CCCCCCCC(=O)[O-].[Zn+2]

InChI

InChI=1S/2C18H34O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2/b2*12-9+;