butyltin(3+); dibutyltin(2+); 2-oxidanylbutanebis(thioate)

Systemtic Name: butyltin(3+); dibutyltin(2+); 2-oxidanylbutanebis(thioate) Openeye Name: butyltin(3+); dibutyltin(2+); 2-hydroxybutanebis(thioate) CAS Name: butyltin(3+); dibutyltin(2+); 2-hydroxybutanebis(thioate) IUPAC Name: butyltin(3+); dibutyltin(2+); 2-hydroxybutanebis(thioate) Traditional Name: butyltin(3+); dibutyltin(2+); 2-hydroxybutanebis(thioate) Formula: C44H74O15S10Sn4 MolecularWeight: 1638.53936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5C4H6O3S2.6C4H9.4Sn/c5*5-2(4(7)9)1-3(6)8;6*1-3-4-2;;;;/h5*2,5H,1H2,(H,6,8)(H,7,9);6*1,3-4H2,2H3;;;;/q;;;;;;;;;;;2*+2;2*+3/p-10