1-phenylethanone; 2,2,2-tris(bromanyl)-1-phenyl-ethanone

Systemtic Name: 1-phenylethanone; 2,2,2-tris(bromanyl)-1-phenyl-ethanone Openeye Name: 1-phenylethanone; 2,2,2-tribromo-1-phenyl-ethanone CAS Name: 1-phenylethanone; 2,2,2-tribromo-1-phenylethanone IUPAC Name: 1-phenylethanone; 2,2,2-tribromo-1-phenylethanone Traditional Name: acetophenone; 2,2,2-tribromo-1-phenyl-ethanone Formula: C16H13Br3O2 MolecularWeight: 476.98522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)C(Br)(Br)Br

Isomeric SMILES

CC(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(=O)C(Br)(Br)Br

InChI

InChI=1S/C8H5Br3O.C8H8O/c9-8(10,11)7(12)6-4-2-1-3-5-6;1-7(9)8-5-3-2-4-6-8/h1-5H;2-6H,1H3