dibutyltin; 2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid; hydrate

Systemtic Name: dibutyltin; 2-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid; hydrate Openeye Name: dibutyltin; 2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid; hydrate CAS Name: dibutyltin; 2-(5-fluoro-2,4-dioxo-1-pyrimidinyl)acetic acid; hydrate IUPAC Name: dibutyltin; 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid; hydrate Traditional Name: dibutyltin; 2-(5-fluoro-2,4-diketo-pyrimidin-1-yl)acetic acid; hydrate Formula: C28H48F2N4O9Sn2 MolecularWeight: 860.118926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=C(C(=O)NC(=O)N1CC(=O)O)F.C1=C(C(=O)NC(=O)N1CC(=O)O)F.O

Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=C(C(=O)NC(=O)N1CC(=O)O)F.C1=C(C(=O)NC(=O)N1CC(=O)O)F.O

InChI

InChI=1S/2C6H5FN2O4.4C4H9.H2O.2Sn/c2*7-3-1-9(2-4(10)11)6(13)8-5(3)12;4*1-3-4-2;;;/h2*1H,2H2,(H,10,11)(H,8,12,13);4*1,3-4H2,2H3;1H2;;