octan-3-yl 2-sulfanylethanoate; octyltin(3+)

Systemtic Name: octan-3-yl 2-sulfanylethanoate; octyltin(3+) Openeye Name: 1-ethylhexyl 2-sulfanylacetate; octyltin(3+) CAS Name: 2-mercaptoacetic acid octan-3-yl ester; octyltin(3+) IUPAC Name: octan-3-yl 2-sulfanylacetate; octyltin(3+) Traditional Name: 2-mercaptoacetic acid 1-ethylhexyl ester; octyltin(3+) Formula: C38H77O6S3Sn+3 MolecularWeight: 844.91938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+3].CCCCCC(CC)OC(=O)CS.CCCCCC(CC)OC(=O)CS.CCCCCC(CC)OC(=O)CS

Isomeric SMILES

CCCCCCCC[Sn+3].CCCCCC(CC)OC(=O)CS.CCCCCC(CC)OC(=O)CS.CCCCCC(CC)OC(=O)CS

InChI

InChI=1S/3C10H20O2S.C8H17.Sn/c3*1-3-5-6-7-9(4-2)12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3