butyltin(3+); 2-(6-methylheptylsulfanyl)ethanoate; sulfide

Systemtic Name: butyltin(3+); 2-(6-methylheptylsulfanyl)ethanoate; sulfide Openeye Name: butyltin(3+); 2-(6-methylheptylsulfanyl)acetate; sulfide CAS Name: butyltin(3+); 2-(6-methylheptylthio)acetate; sulfide IUPAC Name: butyltin(3+); 2-(6-methylheptylsulfanyl)acetate; sulfide Traditional Name: butyltin(3+); 2-(6-methylheptylthio)acetate; sulfide Formula: C34H66O6S4Sn-2 MolecularWeight: 817.85424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H20O2S.C4H9.S.Sn/c3*1-9(2)6-4-3-5-7-13-8-10(11)12;1-3-4-2;;/h3*9H,3-8H2,1-2H3,(H,11,12);1,3-4H2,2H3;;/q;;;;-2;+3/p-3