5-nitropentan-2-one; triphenylphosphanium; bromide

Systemtic Name: 5-nitropentan-2-one; triphenylphosphanium; bromide Openeye Name: 5-nitropentan-2-one; triphenylphosphonium; bromide CAS Name: 5-nitro-2-pentanone; triphenylphosphonium; bromide IUPAC Name: 5-nitropentan-2-one; triphenylphosphanium; bromide Traditional Name: 5-nitropentan-2-one; triphenylphosphonium; bromide Formula: C23H25BrNO3P MolecularWeight: 474.327261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC[N+](=O)[O-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)CCC[N+](=O)[O-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H15P.C5H9NO3.BrH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(7)3-2-4-6(8)9;/h1-15H;2-4H2,1H3;1H