6-methylheptyl 2-sulfanylethanoate; methyltin(3+)

Systemtic Name: 6-methylheptyl 2-sulfanylethanoate; methyltin(3+) Openeye Name: 6-methylheptyl 2-sulfanylacetate; methyltin(3+) CAS Name: 2-mercaptoacetic acid 6-methylheptyl ester; methyltin(3+) IUPAC Name: 6-methylheptyl 2-sulfanylacetate; methyltin(3+) Traditional Name: 2-mercaptoacetic acid 6-methylheptyl ester; methyltin(3+) Formula: C31H63O6S3Sn+3 MolecularWeight: 746.73332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.C[Sn+3]

Isomeric SMILES

CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.C[Sn+3]

InChI

InChI=1S/3C10H20O2S.CH3.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3