butyltin(3+); 2-oxidanylethanethiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide

Systemtic Name: butyltin(3+); 2-oxidanylethanethiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide Openeye Name: butyltin(3+); 2-hydroxyethanethiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide CAS Name: butyltin(3+); 2-hydroxyethanethiolate; 2-(2-mercaptoethyl)nonanedioate; sulfide IUPAC Name: butyltin(3+); 2-hydroxyethanethiolate; 2-(2-sulfanylethyl)nonanedioate; sulfide Traditional Name: butyltin(3+); 2-hydroxyethanethiolate; 2-(2-mercaptoethyl)azelaate; sulfide Formula: C31H66O10S8Sn2-4 MolecularWeight: 1092.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O4S.2C4H9.6C2H6OS.S.2Sn/c12-10(13)6-4-2-1-3-5-9(7-8-16)11(14)15;2*1-3-4-2;6*3-1-2-4;;;/h9,16H,1-8H2,(H,12,13)(H,14,15);2*1,3-4H2,2H3;6*3-4H,1-2H2;;;/q;;;;;;;;;-2;2*+3/p-8