dibutyltin(2+); 5-methoxy-2-(sulfanylmethyl)hexanoate; oxygen(2-)

Systemtic Name: dibutyltin(2+); 5-methoxy-2-(sulfanylmethyl)hexanoate; oxygen(2-) Openeye Name: dibutyltin(2+); 5-methoxy-2-(sulfanylmethyl)hexanoate; oxygen(2-) CAS Name: dibutyltin(2+); 2-(mercaptomethyl)-5-methoxyhexanoate; oxygen(2-) IUPAC Name: dibutyltin(2+); 5-methoxy-2-(sulfanylmethyl)hexanoate; oxygen(2-) Traditional Name: dibutyltin(2+); 2-(mercaptomethyl)-5-methoxy-hexanoate; oxygen(2-) Formula: C48H96O13S4Sn2-2 MolecularWeight: 1246.94804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C8H16O3S.4C4H9.O.2Sn/c4*1-6(11-2)3-4-7(5-12)8(9)10;4*1-3-4-2;;;/h4*6-7,12H,3-5H2,1-2H3,(H,9,10);4*1,3-4H2,2H3;;;/q;;;;;;;;-2;2*+2/p-4