dibutyltin(2+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate

Systemtic Name: dibutyltin(2+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate Openeye Name: dibutyltin(2+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate CAS Name: dibutyltin(2+); 3-mercaptopropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: dibutyltin(2+); [(E)-octadec-9-enyl] 3-sulfanylpropanoate Traditional Name: dibutyltin(2+); 3-mercaptopropionic acid [(E)-octadec-9-enyl] ester Formula: C50H98O4S2Sn+2 MolecularWeight: 946.15072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCS.CCCCCCCCC=CCCCCCCCCOC(=O)CCS.CCCC[Sn+2]CCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCS.CCCCCCCC/C=C/CCCCCCCCOC(=O)CCS.CCCC[Sn+2]CCCC

InChI

InChI=1S/2C21H40O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24;2*1-3-4-2;/h2*9-10,24H,2-8,11-20H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/b2*10-9+;;;