dimethyl 5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]adamantane-1,3-dicarboxylate

Systemtic Name: dimethyl 5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]adamantane-1,3-dicarboxylate Openeye Name: dimethyl 5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1,3-dicarboxylate CAS Name: 5,7-bis[(2,2,2-tribromo-1-oxoethyl)amino]adamantane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1,3-dicarboxylate Traditional Name: 5,7-bis[(2,2,2-tribromoacetyl)amino]adamantane-1,3-dicarboxylic acid dimethyl ester Formula: C18H20Br6N2O6 MolecularWeight: 839.7852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3(CC(C1)(CC(C2)(C3)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br)C(=O)OC

Isomeric SMILES

COC(=O)C12CC3(CC(C1)(CC(C2)(C3)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br)C(=O)OC

InChI

InChI=1S/C18H20Br6N2O6/c1-31-11(29)13-3-14(12(30)32-2)6-15(4-13,25-9(27)17(19,20)21)8-16(5-13,7-14)26-10(28)18(22,23)24/h3-8H2,1-2H3,(H,25,27)(H,26,28)