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

Systemtic Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; trisulfide Openeye Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate; trisulfide CAS Name: butyltin(3+); 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoate; trisulfide IUPAC Name: butyltin(3+); 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoate; trisulfide Traditional Name: butyltin(3+); 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonate; trisulfide Formula: C116H228O12S9Sn2-6 MolecularWeight: 2341.04932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C18H36O2S.2C4H9.3S.2Sn/c6*1-15(2)11-7-5-9-13-18(21,17(19)20)14-10-6-8-12-16(3)4;2*1-3-4-2;;;;;/h6*15-16,21H,5-14H2,1-4H3,(H,19,20);2*1,3-4H2,2H3;;;;;/q;;;;;;;;3*-2;2*+3/p-6