ethanoic acid; 3,3,4-tris(bromanyl)-1-propan-2-ylidene-azetidin-1-ium-2-one

Systemtic Name: ethanoic acid; 3,3,4-tris(bromanyl)-1-propan-2-ylidene-azetidin-1-ium-2-one Openeye Name: acetic acid; 3,3,4-tribromo-1-isopropylidene-azetidin-1-ium-2-one CAS Name: acetic acid; 3,3,4-tribromo-1-propan-2-ylidene-2-azetidin-1-iumone IUPAC Name: acetic acid; 3,3,4-tribromo-1-propan-2-ylideneazetidin-1-ium-2-one Traditional Name: acetic acid; 3,3,4-tribromo-1-isopropylidene-azetidin-1-ium-2-one Formula: C8H11Br3NO3+ MolecularWeight: 408.88984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+]1C(C(C1=O)(Br)Br)Br)C.CC(=O)O

Isomeric SMILES

CC(=[N+]1C(C(C1=O)(Br)Br)Br)C.CC(=O)O

InChI

InChI=1S/C6H7Br3NO.C2H4O2/c1-3(2)10-4(7)6(8,9)5(10)11;1-2(3)4/h4H,1-2H3;1H3,(H,3,4)/q+1;