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

Systemtic Name: butyltin(3+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate Openeye Name: butyltin(3+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate CAS Name: butyltin(3+); 3-mercaptopropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: butyltin(3+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate Traditional Name: butyltin(3+); 3-mercaptopropionic acid [(E)-octadec-9-enyl] ester Formula: C67H129O6S3Sn+3 MolecularWeight: 1245.64256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C21H40O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24;1-3-4-2;/h3*9-10,24H,2-8,11-20H2,1H3;1,3-4H2,2H3;/q;;;;+3/b3*10-9+;;