butyl(octyl)tin(2+); 7-methyloctyl 3-sulfanylpropanoate

Systemtic Name: butyl(octyl)tin(2+); 7-methyloctyl 3-sulfanylpropanoate Openeye Name: butyl(octyl)tin(2+); 7-methyloctyl 3-sulfanylpropanoate CAS Name: butyl(octyl)tin(2+); 3-mercaptopropanoic acid 7-methyloctyl ester IUPAC Name: butyl(octyl)tin(2+); 7-methyloctyl 3-sulfanylpropanoate Traditional Name: butyl(octyl)tin(2+); 3-mercaptopropionic acid 7-methyloctyl ester Formula: C36H74O4S2Sn+2 MolecularWeight: 753.81036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCC.CC(C)CCCCCCOC(=O)CCS.CC(C)CCCCCCOC(=O)CCS

Isomeric SMILES

CCCCCCCC[Sn+2]CCCC.CC(C)CCCCCCOC(=O)CCS.CC(C)CCCCCCOC(=O)CCS

InChI

InChI=1S/2C12H24O2S.C8H17.C4H9.Sn/c2*1-11(2)7-5-3-4-6-9-14-12(13)8-10-15;1-3-5-7-8-6-4-2;1-3-4-2;/h2*11,15H,3-10H2,1-2H3;1,3-8H2,2H3;1,3-4H2,2H3;/q;;;;+2