5-nitro-1,10-phenanthroline; pentan-2-yl 2-[bis(bromanyl)-(2-oxidanylidene-2-pentan-2-yloxy-ethyl)stannyl]ethanoate

Systemtic Name: 5-nitro-1,10-phenanthroline; pentan-2-yl 2-[bis(bromanyl)-(2-oxidanylidene-2-pentan-2-yloxy-ethyl)stannyl]ethanoate Openeye Name: 1-methylbutyl 2-[dibromo-[2-(1-methylbutoxy)-2-oxo-ethyl]stannyl]acetate; 5-nitro-1,10-phenanthroline CAS Name: 2-[dibromo-(2-oxo-2-pentan-2-yloxyethyl)stannyl]acetic acid pentan-2-yl ester; 5-nitro-1,10-phenanthroline IUPAC Name: 5-nitro-1,10-phenanthroline; pentan-2-yl 2-[dibromo-(2-oxo-2-pentan-2-yloxyethyl)stannyl]acetate Traditional Name: 2-[dibromo-[2-keto-2-(1-methylbutoxy)ethyl]stannyl]acetic acid 1-methylbutyl ester; 5-nitro-1,10-phenanthroline Formula: C26H33Br2N3O6Sn MolecularWeight: 762.07472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C[Sn](CC(=O)OC(C)CCC)(Br)Br.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)OC(=O)C[Sn](CC(=O)OC(C)CCC)(Br)Br.C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O2.2C7H13O2.2BrH.Sn/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12;2*1-4-5-6(2)9-7(3)8;;;/h1-7H;2*6H,3-5H2,1-2H3;2*1H;/q;;;;;+2/p-2