butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-(6-methylheptylsulfanyl)nonanoate

Systemtic Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-(6-methylheptylsulfanyl)nonanoate Openeye Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-(6-methylheptylsulfanyl)nonanoate CAS Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-(6-methylheptylthio)nonanoate IUPAC Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-(6-methylheptylsulfanyl)nonanoate Traditional Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-(6-methylheptylthio)pelargonate Formula: C82H162O6S3Sn MolecularWeight: 1459.06508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+3].CC(C)CCCCCC(CCCCCC(C)C)(C(=O)[O-])SCCCCCC(C)C.CC(C)CCCCCC(CCCCCC(C)C)(C(=O)[O-])SCCCCCC(C)C.CC(C)CCCCCC(CCCCCC(C)C)(C(=O)[O-])SCCCCCC(C)C

Isomeric SMILES

CCCC[Sn+3].CC(C)CCCCCC(CCCCCC(C)C)(C(=O)[O-])SCCCCCC(C)C.CC(C)CCCCCC(CCCCCC(C)C)(C(=O)[O-])SCCCCCC(C)C.CC(C)CCCCCC(CCCCCC(C)C)(C(=O)[O-])SCCCCCC(C)C

InChI

InChI=1S/3C26H52O2S.C4H9.Sn/c3*1-22(2)16-10-7-13-19-26(25(27)28,20-14-8-11-17-23(3)4)29-21-15-9-12-18-24(5)6;1-3-4-2;/h3*22-24H,7-21H2,1-6H3,(H,27,28);1,3-4H2,2H3;/q;;;;+3/p-3