butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylethanoate

Systemtic Name: butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylethanoate Openeye Name: butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylacetate CAS Name: butyltin(3+); 2-mercaptoacetic acid [(E)-octadec-9-enyl] ester IUPAC Name: butyltin(3+); [(E)-octadec-9-enyl] 2-sulfanylacetate Traditional Name: butyltin(3+); 2-mercaptoacetic acid [(E)-octadec-9-enyl] ester Formula: C64H123O6S3Sn+3 MolecularWeight: 1203.56282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CS.CCCCCCCCC=CCCCCCCCCOC(=O)CS.CCCCCCCCC=CCCCCCCCCOC(=O)CS.CCCC[Sn+3]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CS.CCCCCCCC/C=C/CCCCCCCCOC(=O)CS.CCCCCCCC/C=C/CCCCCCCCOC(=O)CS.CCCC[Sn+3]

InChI

InChI=1S/3C20H38O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23;1-3-4-2;/h3*9-10,23H,2-8,11-19H2,1H3;1,3-4H2,2H3;/q;;;;+3/b3*10-9+;;