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

Systemtic Name: zinc; octadecanoate; (E)-12-oxidanyloctadec-9-enoate Openeye Name: zinc; (E)-12-hydroxyoctadec-9-enoate; octadecanoate CAS Name: zinc; (E)-12-hydroxy-9-octadecenoate; octadecanoate IUPAC Name: zinc; (E)-12-hydroxyoctadec-9-enoate; octadecanoate Traditional Name: zinc; (E)-12-hydroxyoctadec-9-enoate; stearate Formula: C36H68O5Zn MolecularWeight: 646.33112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O3.C18H36O2.Zn/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);2-17H2,1H3,(H,19,20);/q;;+2/p-2/b12-9+;;