barium(2+); dodecanoate; (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: barium(2+); dodecanoate; (E)-12-oxidanyloctadec-9-enoate Openeye Name: barium(2+); dodecanoate; (E)-12-hydroxyoctadec-9-enoate CAS Name: barium(2+); dodecanoate; (E)-12-hydroxy-9-octadecenoate IUPAC Name: barium(2+); dodecanoate; (E)-12-hydroxyoctadec-9-enoate Traditional Name: barium(2+); (E)-12-hydroxyoctadec-9-enoate; laurate Formula: C42H79BaO7- MolecularWeight: 833.39946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O3.2C12H24O2.Ba/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);2*2-11H2,1H3,(H,13,14);/q;;;+2/p-3/b12-9+;;;