dodecyl 2-sulfanylethanoate; octyltin(3+)

Systemtic Name: dodecyl 2-sulfanylethanoate; octyltin(3+) Openeye Name: dodecyl 2-sulfanylacetate; octyltin(3+) CAS Name: 2-mercaptoacetic acid dodecyl ester; octyltin(3+) IUPAC Name: dodecyl 2-sulfanylacetate; octyltin(3+) Traditional Name: 2-mercaptoacetic acid lauryl ester; octyltin(3+) Formula: C50H101O6S3Sn+3 MolecularWeight: 1013.23834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CS.CCCCCCCCCCCCOC(=O)CS.CCCCCCCCCCCCOC(=O)CS.CCCCCCCC[Sn+3]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CS.CCCCCCCCCCCCOC(=O)CS.CCCCCCCCCCCCOC(=O)CS.CCCCCCCC[Sn+3]

InChI

InChI=1S/3C14H28O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-5-7-8-6-4-2;/h3*17H,2-13H2,1H3;1,3-8H2,2H3;/q;;;;+3