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

Systemtic Name: dibutyltin(2+); [(E)-octadec-9-enyl] 3-phenyl-3-sulfanyl-propanoate Openeye Name: dibutyltin(2+); [(E)-octadec-9-enyl] 3-phenyl-3-sulfanyl-propanoate CAS Name: dibutyltin(2+); 3-mercapto-3-phenylpropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: dibutyltin(2+); [(E)-octadec-9-enyl] 3-phenyl-3-sulfanylpropanoate Traditional Name: dibutyltin(2+); 3-mercapto-3-phenyl-propionic acid [(E)-octadec-9-enyl] ester Formula: C62H106O4S2Sn+2 MolecularWeight: 1098.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CC(C1=CC=CC=C1)S.CCCCCCCCC=CCCCCCCCCOC(=O)CC(C1=CC=CC=C1)S.CCCC[Sn+2]CCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CC(S)C1=CC=CC=C1.CCCCCCCC/C=C/CCCCCCCCOC(=O)CC(S)C1=CC=CC=C1.CCCC[Sn+2]CCCC

InChI

InChI=1S/2C27H44O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(28)24-26(30)25-21-18-17-19-22-25;2*1-3-4-2;/h2*9-10,17-19,21-22,26,30H,2-8,11-16,20,23-24H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/b2*10-9+;;;