(Z)-2-butylbut-2-enedioate; butyltin(3+); 2-(2-sulfanylethyl)nonanedioate; sulfide

Systemtic Name: (Z)-2-butylbut-2-enedioate; butyltin(3+); 2-(2-sulfanylethyl)nonanedioate; sulfide Openeye Name: (Z)-2-butylbut-2-enedioate; butyltin(3+); 2-(2-sulfanylethyl)nonanedioate; sulfide CAS Name: (Z)-2-butyl-2-butenedioate; butyltin(3+); 2-(2-mercaptoethyl)nonanedioate; sulfide IUPAC Name: (Z)-2-butylbut-2-enedioate; butyltin(3+); 2-(2-sulfanylethyl)nonanedioate; sulfide Traditional Name: (Z)-2-butylbut-2-enedioate; butyltin(3+); 2-(2-mercaptoethyl)azelaate; sulfide Formula: C75H114O28S2Sn4-4 MolecularWeight: 2002.66086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O4S.6C8H12O4.4C4H9.S.4Sn/c12-10(13)6-4-2-1-3-5-9(7-8-16)11(14)15;6*1-2-3-4-6(8(11)12)5-7(9)10;4*1-3-4-2;;;;;/h9,16H,1-8H2,(H,12,13)(H,14,15);6*5H,2-4H2,1H3,(H,9,10)(H,11,12);4*1,3-4H2,2H3;;;;;/q;;;;;;;;;;;-2;4*+3/p-14/b;6*6-5-;;;;;;;;;