butyltin(3+); 2-(2-sulfanylethyl)octanoic acid; trisulfide

Systemtic Name: butyltin(3+); 2-(2-sulfanylethyl)octanoic acid; trisulfide Openeye Name: butyltin(3+); 2-(2-sulfanylethyl)octanoic acid; trisulfide CAS Name: butyltin(3+); 2-(2-mercaptoethyl)octanoic acid; trisulfide IUPAC Name: butyltin(3+); 2-(2-sulfanylethyl)octanoic acid; trisulfide Traditional Name: butyltin(3+); 2-(2-mercaptoethyl)caprylic acid; trisulfide Formula: C38H78O6S6Sn2 MolecularWeight: 1060.83232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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