antimony(3+); dodecane-1-thiolate; 3-methylsulfanylpropanoic acid; octadecanoate

Systemtic Name: antimony(3+); dodecane-1-thiolate; 3-methylsulfanylpropanoic acid; octadecanoate Openeye Name: antimony(3+); dodecane-1-thiolate; 3-methylsulfanylpropanoic acid; octadecanoate CAS Name: antimony(3+); 1-dodecanethiolate; 3-(methylthio)propanoic acid; octadecanoate IUPAC Name: antimony(3+); dodecane-1-thiolate; 3-methylsulfanylpropanoic acid; octadecanoate Traditional Name: antimony(3+); dodecane-1-thiolate; 3-(methylthio)propionic acid; stearate Formula: C102H204O12S6Sb2 MolecularWeight: 2058.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].CSCCC(=O)O.CSCCC(=O)O.CSCCC(=O)O.[Sb+3].[Sb+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].CCCCCCCCCCCC[S-].CSCCC(=O)O.CSCCC(=O)O.CSCCC(=O)O.[Sb+3].[Sb+3]

InChI

InChI=1S/3C18H36O2.3C12H26S.3C4H8O2S.2Sb/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-2-3-4-5-6-7-8-9-10-11-12-13;3*1-7-3-2-4(5)6;;/h3*2-17H2,1H3,(H,19,20);3*13H,2-12H2,1H3;3*2-3H2,1H3,(H,5,6);;/q;;;;;;;;;2*+3/p-6