barium(2+); 3-octadecylsulfanylpropanoate

Systemtic Name: barium(2+); 3-octadecylsulfanylpropanoate Openeye Name: barium(2+); 3-octadecylsulfanylpropanoate CAS Name: barium(2+); 3-(octadecylthio)propanoate IUPAC Name: barium(2+); 3-octadecylsulfanylpropanoate Traditional Name: barium(2+); 3-(stearylthio)propionate Formula: C21H41BaO2S+ MolecularWeight: 494.94104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42O2S.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21(22)23;/h2-20H2,1H3,(H,22,23);/q;+2/p-1