octyltin(3+); tridecyl 3-sulfanylpropanoate

Systemtic Name: octyltin(3+); tridecyl 3-sulfanylpropanoate Openeye Name: octyltin(3+); tridecyl 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid tridecyl ester; octyltin(3+) IUPAC Name: octyltin(3+); tridecyl 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid tridecyl ester; octyltin(3+) Formula: C56H113O6S3Sn+3 MolecularWeight: 1097.39782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CCS.CCCCCCCCCCCCCOC(=O)CCS.CCCCCCCCCCCCCOC(=O)CCS.CCCCCCCC[Sn+3]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CCS.CCCCCCCCCCCCCOC(=O)CCS.CCCCCCCCCCCCCOC(=O)CCS.CCCCCCCC[Sn+3]

InChI

InChI=1S/3C16H32O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-14-18-16(17)13-15-19;1-3-5-7-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-8H2,2H3;/q;;;;+3