dibutyltin(2+); 4-ethyl-2-(2-ethylhexyl)-2-sulfanyl-octanoate

Systemtic Name: dibutyltin(2+); 4-ethyl-2-(2-ethylhexyl)-2-sulfanyl-octanoate Openeye Name: dibutyltin(2+); 4-ethyl-2-(2-ethylhexyl)-2-sulfanyl-octanoate CAS Name: dibutyltin(2+); 4-ethyl-2-(2-ethylhexyl)-2-mercaptooctanoate IUPAC Name: dibutyltin(2+); 4-ethyl-2-(2-ethylhexyl)-2-sulfanyloctanoate Traditional Name: dibutyltin(2+); 4-ethyl-2-(2-ethylhexyl)-2-mercapto-caprylate Formula: C44H88O4S2Sn MolecularWeight: 864.00712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2S.2C4H9.Sn/c2*1-5-9-11-15(7-3)13-18(21,17(19)20)14-16(8-4)12-10-6-2;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