dibutyltin(2+); [(E)-octadec-9-enyl] 2-methyl-3-sulfanyl-propanoate

Systemtic Name: dibutyltin(2+); [(E)-octadec-9-enyl] 2-methyl-3-sulfanyl-propanoate Openeye Name: dibutyltin(2+); [(E)-octadec-9-enyl] 2-methyl-3-sulfanyl-propanoate CAS Name: dibutyltin(2+); 3-mercapto-2-methylpropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: dibutyltin(2+); [(E)-octadec-9-enyl] 2-methyl-3-sulfanylpropanoate Traditional Name: dibutyltin(2+); 3-mercapto-2-methyl-propionic acid [(E)-octadec-9-enyl] ester Formula: C52H102O4S2Sn+2 MolecularWeight: 974.20388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H42O2S.2C4H9.Sn/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-22(23)21(2)20-25;2*1-3-4-2;/h2*10-11,21,25H,3-9,12-20H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/b2*11-10+;;;