barium(2+); octadecanoate

Systemtic Name: barium(2+); octadecanoate Openeye Name: barium(2+); octadecanoate CAS Name: barium(2+); octadecanoate IUPAC Name: barium(2+); octadecanoate Traditional Name: barium(2+); stearate Formula: C72H140Ba73O8+142 MolecularWeight: 11158.7482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/4C18H36O2.73Ba/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*2-17H2,1H3,(H,19,20);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;73*+2/p-4