butyl(octyl)tin(2+); 6-methylheptyl 2-sulfanylethanoate

Systemtic Name: butyl(octyl)tin(2+); 6-methylheptyl 2-sulfanylethanoate Openeye Name: butyl(octyl)tin(2+); 6-methylheptyl 2-sulfanylacetate CAS Name: butyl(octyl)tin(2+); 2-mercaptoacetic acid 6-methylheptyl ester IUPAC Name: butyl(octyl)tin(2+); 6-methylheptyl 2-sulfanylacetate Traditional Name: butyl(octyl)tin(2+); 2-mercaptoacetic acid 6-methylheptyl ester Formula: C32H66O4S2Sn+2 MolecularWeight: 697.70404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCC.CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS

Isomeric SMILES

CCCCCCCC[Sn+2]CCCC.CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS

InChI

InChI=1S/2C10H20O2S.C8H17.C4H9.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-5-7-8-6-4-2;1-3-4-2;/h2*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;1,3-4H2,2H3;/q;;;;+2