barium(2+); 1-[(Z)-octadec-9-enoxy]-1-oxidanylidene-propan-2-olate

Systemtic Name: barium(2+); 1-[(Z)-octadec-9-enoxy]-1-oxidanylidene-propan-2-olate Openeye Name: barium(2+); 1-[(Z)-octadec-9-enoxy]-1-oxo-propan-2-olate CAS Name: barium(2+); 1-[(Z)-octadec-9-enoxy]-1-oxo-2-propanolate IUPAC Name: barium(2+); 1-[(Z)-octadec-9-enoxy]-1-oxopropan-2-olate Traditional Name: barium(2+); 1-keto-1-[(Z)-octadec-9-enoxy]propan-2-olate Formula: C42H78BaO6 MolecularWeight: 816.39212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(C)[O-].CCCCCCCCC=CCCCCCCCCOC(=O)C(C)[O-].[Ba+2]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=O)C([O-])C.CCCCCCCC/C=C\CCCCCCCCOC(=O)C([O-])C.[Ba+2]

InChI

InChI=1S/2C21H39O3.Ba/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22;/h2*10-11,20H,3-9,12-19H2,1-2H3;/q2*-1;+2/b2*11-10-;