butyltin(3+); dodecane-1-thiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide

Systemtic Name: butyltin(3+); dodecane-1-thiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide Openeye Name: butyltin(3+); dodecane-1-thiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide CAS Name: butyltin(3+); 1-dodecanethiolate; 2-(2-mercaptoethyl)nonanedioate; sulfide IUPAC Name: butyltin(3+); dodecane-1-thiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide Traditional Name: butyltin(3+); dodecane-1-thiolate; 2-(2-mercaptoethyl)azelaate; sulfide Formula: C91H186O4S8Sn2-4 MolecularWeight: 1838.38814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C12H26S.C11H20O4S.2C4H9.S.2Sn/c6*1-2-3-4-5-6-7-8-9-10-11-12-13;12-10(13)6-4-2-1-3-5-9(7-8-16)11(14)15;2*1-3-4-2;;;/h6*13H,2-12H2,1H3;9,16H,1-8H2,(H,12,13)(H,14,15);2*1,3-4H2,2H3;;;/q;;;;;;;;;-2;2*+3/p-8