dibutyltin(2+); 4-ethyl-2-(sulfanylmethyl)octanoate; oxygen(2-)

Systemtic Name: dibutyltin(2+); 4-ethyl-2-(sulfanylmethyl)octanoate; oxygen(2-) Openeye Name: dibutyltin(2+); 4-ethyl-2-(sulfanylmethyl)octanoate; oxygen(2-) CAS Name: dibutyltin(2+); 4-ethyl-2-(mercaptomethyl)octanoate; oxygen(2-) IUPAC Name: dibutyltin(2+); 4-ethyl-2-(sulfanylmethyl)octanoate; oxygen(2-) Traditional Name: dibutyltin(2+); 4-ethyl-2-(mercaptomethyl)caprylate; oxygen(2-) Formula: C60H120O9S4Sn2-2 MolecularWeight: 1351.2694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H22O2S.4C4H9.O.2Sn/c4*1-3-5-6-9(4-2)7-10(8-14)11(12)13;4*1-3-4-2;;;/h4*9-10,14H,3-8H2,1-2H3,(H,12,13);4*1,3-4H2,2H3;;;/q;;;;;;;;-2;2*+2/p-4