(E)-but-2-enedioic acid; dibutyltin(2+); 2-sulfanylhexanoate; 2-sulfanylpropanoate; sulfide

Systemtic Name: (E)-but-2-enedioic acid; dibutyltin(2+); 2-sulfanylhexanoate; 2-sulfanylpropanoate; sulfide Openeye Name: dibutyltin(2+); fumaric acid; 2-sulfanylhexanoate; 2-sulfanylpropanoate; sulfide CAS Name: (E)-2-butenedioic acid; dibutyltin(2+); 2-mercaptohexanoate; 2-mercaptopropanoate; sulfide IUPAC Name: (E)-but-2-enedioic acid; dibutyltin(2+); 2-sulfanylhexanoate; 2-sulfanylpropanoate; sulfide Traditional Name: dibutyltin(2+); fumaric acid; 2-mercaptohexanoate; 2-mercaptopropionate; sulfide Formula: C72H140O20S9Sn4-2 MolecularWeight: 2089.295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(C(=O)[O-])S.CCCCC(C(=O)[O-])S.CCCCC(C(=O)[O-])S.CCCCC(C(=O)[O-])S.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CCCC[Sn+2]CCCC.CC(C(=O)[O-])S.CC(C(=O)[O-])S.CC(C(=O)[O-])S.CC(C(=O)[O-])S.C(=C/C(=O)O)\C(=O)O.[S-2]

InChI

InChI=1S/4C6H12O2S.C4H4O4.8C4H9.4C3H6O2S.S.4Sn/c4*1-2-3-4-5(9)6(7)8;5-3(6)1-2-4(7)8;8*1-3-4-2;4*1-2(6)3(4)5;;;;;/h4*5,9H,2-4H2,1H3,(H,7,8);1-2H,(H,5,6)(H,7,8);8*1,3-4H2,2H3;4*2,6H,1H3,(H,4,5);;;;;/q;;;;;;;;;;;;;;;;;-2;4*+2/p-8/b;;;;2-1+;;;;;;;;;;;;;;;;;