ethanoic acid; [2-[tris(bromanyl)methyl]quinolin-3-yl]methanamine

Systemtic Name: ethanoic acid; [2-[tris(bromanyl)methyl]quinolin-3-yl]methanamine Openeye Name: acetic acid; [2-(tribromomethyl)-3-quinolyl]methanamine CAS Name: acetic acid; [2-(tribromomethyl)-3-quinolinyl]methanamine IUPAC Name: acetic acid; [2-(tribromomethyl)quinolin-3-yl]methanamine Traditional Name: acetic acid; [2-(tribromomethyl)-3-quinolyl]methylamine Formula: C13H13Br3N2O2 MolecularWeight: 468.96652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C=C(C(=N2)C(Br)(Br)Br)CN

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C=C(C(=N2)C(Br)(Br)Br)CN

InChI

InChI=1S/C11H9Br3N2.C2H4O2/c12-11(13,14)10-8(6-15)5-7-3-1-2-4-9(7)16-10;1-2(3)4/h1-5H,6,15H2;1H3,(H,3,4)