bis(2-methylpropyl)tin(2+); 8-methyl-2-(6-methylheptyl)-2-sulfanyl-nonanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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*1-4(2)3;/h2*15-16,21H,5-14H2,1-4H3,(H,19,20);2*4H,1H2,2-3H3;/q;;;;+2/p-2