barium(2+); 3-dodecylsulfanylpropanoate

Systemtic Name: barium(2+); 3-dodecylsulfanylpropanoate Openeye Name: barium(2+); 3-dodecylsulfanylpropanoate CAS Name: barium(2+); 3-(dodecylthio)propanoate IUPAC Name: barium(2+); 3-dodecylsulfanylpropanoate Traditional Name: barium(2+); 3-(laurylthio)propionate Formula: C30H58BaO4S2 MolecularWeight: 684.23612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H30O2S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2