dibutyltin; (E)-octadec-9-enoic acid; hydrate

Systemtic Name: dibutyltin; (E)-octadec-9-enoic acid; hydrate Openeye Name: dibutyltin; (E)-octadec-9-enoic acid; hydrate CAS Name: dibutyltin; (E)-9-octadecenoic acid; hydrate IUPAC Name: dibutyltin; (E)-octadec-9-enoic acid; hydrate Traditional Name: dibutyltin; elaidic acid; hydrate Formula: C52H106O5Sn2 MolecularWeight: 1048.81504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCC[Sn]CCCC.CCCC[Sn]CCCC.O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCC[Sn]CCCC.CCCC[Sn]CCCC.O

InChI

InChI=1S/2C18H34O2.4C4H9.H2O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;1H2;;/b2*10-9+;;;;;;;