dibutyltin(2+); 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate

Systemtic Name: dibutyltin(2+); 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate Openeye Name: dibutyltin(2+); 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate CAS Name: dibutyltin(2+); 2-mercapto-8-methyl-2-(6-methylheptyl)nonanoate IUPAC Name: dibutyltin(2+); 8-methyl-2-(6-methylheptyl)-2-sulfanylnonanoate Traditional Name: dibutyltin(2+); 2-mercapto-8-methyl-2-(6-methylheptyl)pelargonate Formula: C44H88O4S2Sn MolecularWeight: 864.00712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2S.2C4H9.Sn/c2*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;/h2*15-16,21H,5-14H2,1-4H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2