dibutyltin(2+); 2-(6-methylheptylsulfanyl)ethanoate; sulfide

Systemtic Name: dibutyltin(2+); 2-(6-methylheptylsulfanyl)ethanoate; sulfide Openeye Name: dibutyltin(2+); 2-(6-methylheptylsulfanyl)acetate; sulfide CAS Name: dibutyltin(2+); 2-(6-methylheptylthio)acetate; sulfide IUPAC Name: dibutyltin(2+); 2-(6-methylheptylsulfanyl)acetate; sulfide Traditional Name: dibutyltin(2+); 2-(6-methylheptylthio)acetate; sulfide Formula: C56H112O8S5Sn2-2 MolecularWeight: 1311.22868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].[S-2]

Isomeric SMILES

CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].[S-2]

InChI

InChI=1S/4C10H20O2S.4C4H9.S.2Sn/c4*1-9(2)6-4-3-5-7-13-8-10(11)12;4*1-3-4-2;;;/h4*9H,3-8H2,1-2H3,(H,11,12);4*1,3-4H2,2H3;;;/q;;;;;;;;-2;2*+2/p-4