barium(2+); (Z,12R)-12-oxidanyloctadec-9-enoate

Systemtic Name: barium(2+); (Z,12R)-12-oxidanyloctadec-9-enoate Openeye Name: barium(2+); (Z,12R)-12-hydroxyoctadec-9-enoate CAS Name: barium(2+); (Z,12R)-12-hydroxy-9-octadecenoate IUPAC Name: barium(2+); (Z,12R)-12-hydroxyoctadec-9-enoate Traditional Name: barium(2+); (Z,12R)-12-hydroxyoctadec-9-enoate Formula: C36H66BaO6 MolecularWeight: 732.23264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].[Ba+2]

InChI

InChI=1S/2C18H34O3.Ba/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-;/t2*17-;/m11./s1