dioctyltin(2+); (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: dioctyltin(2+); (E)-12-oxidanyloctadec-9-enoate Openeye Name: dioctyltin(2+); (E)-12-hydroxyoctadec-9-enoate CAS Name: dioctyltin(2+); (E)-12-hydroxy-9-octadecenoate IUPAC Name: dioctyltin(2+); (E)-12-hydroxyoctadec-9-enoate Traditional Name: dioctyltin(2+); (E)-12-hydroxyoctadec-9-enoate Formula: C52H100O6Sn MolecularWeight: 940.0568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCC(CC=CCCCCCCCC(=O)[O-])O.CCCCCCC(CC=CCCCCCCCC(=O)[O-])O

Isomeric SMILES

CCCCCCCC[Sn+2]CCCCCCCC.CCCCCCC(O)C/C=C/CCCCCCCC(=O)[O-].CCCCCCC(O)C/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/2C18H34O3.2C8H17.Sn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;2*1-3-5-7-8-6-4-2;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*12-9+;;;