butyltin(3+); 2-(6-methylheptylsulfanyl)ethanoate; 2-(2-sulfanylethyl)nonanedioate; sulfide

Systemtic Name: butyltin(3+); 2-(6-methylheptylsulfanyl)ethanoate; 2-(2-sulfanylethyl)nonanedioate; sulfide Openeye Name: butyltin(3+); 2-(6-methylheptylsulfanyl)acetate; 2-(2-sulfanylethyl)nonanedioate; sulfide CAS Name: butyltin(3+); 2-(2-mercaptoethyl)nonanedioate; 2-(6-methylheptylthio)acetate; sulfide IUPAC Name: butyltin(3+); 2-(6-methylheptylsulfanyl)acetate; 2-(2-sulfanylethyl)nonanedioate; sulfide Traditional Name: butyltin(3+); 2-(2-mercaptoethyl)azelaate; 2-(6-methylheptylthio)acetate; sulfide Formula: C79H150O16S8Sn2-4 MolecularWeight: 1849.9667

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].CCCC[Sn+3].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].C(CCCC(=O)[O-])CCC(CCS)C(=O)[O-].[S-2]

Isomeric SMILES

CCCC[Sn+3].CCCC[Sn+3].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].C(CCCC(=O)[O-])CCC(CCS)C(=O)[O-].[S-2]

InChI

InChI=1S/C11H20O4S.6C10H20O2S.2C4H9.S.2Sn/c12-10(13)6-4-2-1-3-5-9(7-8-16)11(14)15;6*1-9(2)6-4-3-5-7-13-8-10(11)12;2*1-3-4-2;;;/h9,16H,1-8H2,(H,12,13)(H,14,15);6*9H,3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;;;/q;;;;;;;;;-2;2*+3/p-8