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

Systemtic Name: 2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+); dibutyltin(2+); 2-oxidanylethanethiolate; sulfide Openeye Name: 2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+); dibutyltin(2+); 2-hydroxyethanethiolate; sulfide CAS Name: 2,2-bis(2-mercaptoethyl)nonanedioate; butyltin(3+); dibutyltin(2+); 2-hydroxyethanethiolate; sulfide IUPAC Name: 2,2-bis(2-sulfanylethyl)nonanedioate; butyltin(3+); dibutyltin(2+); 2-hydroxyethanethiolate; sulfide Traditional Name: 2,2-bis(2-mercaptoethyl)azelaate; butyltin(3+); dibutyltin(2+); 2-hydroxyethanethiolate; sulfide Formula: C59H112O14S9Sn3-2 MolecularWeight: 1690.22718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H24O4S2.4C4H9.2C2H6OS.S.3Sn/c3*14-11(15)5-3-1-2-4-6-13(7-9-18,8-10-19)12(16)17;4*1-3-4-2;2*3-1-2-4;;;;/h3*18-19H,1-10H2,(H,14,15)(H,16,17);4*1,3-4H2,2H3;2*3-4H,1-2H2;;;;/q;;;;;;;;;-2;+2;2*+3/p-8