[3-acetyloxy-5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]-1-adamantyl] ethanoate

Systemtic Name: [3-acetyloxy-5,7-bis[2,2,2-tris(bromanyl)ethanoylamino]-1-adamantyl] ethanoate Openeye Name: [3-acetoxy-5,7-bis[(2,2,2-tribromoacetyl)amino]-1-adamantyl] acetate CAS Name: acetic acid [3-acetyloxy-5,7-bis[(2,2,2-tribromo-1-oxoethyl)amino]-1-adamantyl] ester IUPAC Name: [3-acetyloxy-5,7-bis[(2,2,2-tribromoacetyl)amino]-1-adamantyl] acetate Traditional Name: acetic acid [3-acetoxy-5,7-bis[(2,2,2-tribromoacetyl)amino]-1-adamantyl] ester Formula: C18H20Br6N2O6 MolecularWeight: 839.7852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3(CC(C1)(CC(C3)(C2)OC(=O)C)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br

Isomeric SMILES

CC(=O)OC12CC3(CC(C1)(CC(C3)(C2)OC(=O)C)NC(=O)C(Br)(Br)Br)NC(=O)C(Br)(Br)Br

InChI

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