butyltin(3+); docosanoic acid; 2-oxidanylethanethiolate

Systemtic Name: butyltin(3+); docosanoic acid; 2-oxidanylethanethiolate Openeye Name: butyltin(3+); docosanoic acid; 2-hydroxyethanethiolate CAS Name: butyltin(3+); docosanoic acid; 2-hydroxyethanethiolate IUPAC Name: butyltin(3+); docosanoic acid; 2-hydroxyethanethiolate Traditional Name: behenic acid; butyltin(3+); 2-hydroxyethanethiolate Formula: C32H68O5S3Sn MolecularWeight: 747.78432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCC[Sn+3].C(C[S-])O.C(C[S-])O.C(C[S-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCC[Sn+3].C(C[S-])O.C(C[S-])O.C(C[S-])O

InChI

InChI=1S/C22H44O2.C4H9.3C2H6OS.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-4-2;3*3-1-2-4;/h2-21H2,1H3,(H,23,24);1,3-4H2,2H3;3*3-4H,1-2H2;/q;;;;;+3/p-3