dibutyltin; 3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid; hydrate

Systemtic Name: dibutyltin; 3-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid; hydrate Openeye Name: dibutyltin; 3-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)propanoic acid; hydrate CAS Name: dibutyltin; 3-(5-fluoro-2,4-dioxo-1-pyrimidinyl)propanoic acid; hydrate IUPAC Name: dibutyltin; 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoic acid; hydrate Traditional Name: dibutyltin; 3-(5-fluoro-2,4-diketo-pyrimidin-1-yl)propionic acid; hydrate Formula: C30H52F2N4O9Sn2 MolecularWeight: 888.172086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=C(C(=O)NC(=O)N1CCC(=O)O)F.C1=C(C(=O)NC(=O)N1CCC(=O)O)F.O

Isomeric SMILES

CCCC[Sn]CCCC.CCCC[Sn]CCCC.C1=C(C(=O)NC(=O)N1CCC(=O)O)F.C1=C(C(=O)NC(=O)N1CCC(=O)O)F.O

InChI

InChI=1S/2C7H7FN2O4.4C4H9.H2O.2Sn/c2*8-4-3-10(2-1-5(11)12)7(14)9-6(4)13;4*1-3-4-2;;;/h2*3H,1-2H2,(H,11,12)(H,9,13,14);4*1,3-4H2,2H3;1H2;;