[3-methyl-1-phenyl-5-(phenylcarbonylimino)pyrazol-1-ium-4-yl]phosphonous acid

Systemtic Name: [3-methyl-1-phenyl-5-(phenylcarbonylimino)pyrazol-1-ium-4-yl]phosphonous acid Openeye Name: (5-benzoylimino-3-methyl-1-phenyl-pyrazol-1-ium-4-yl)phosphonous acid CAS Name: (5-benzoylimino-3-methyl-1-phenyl-4-pyrazol-1-iumyl)phosphonous acid IUPAC Name: (5-benzoylimino-3-methyl-1-phenylpyrazol-1-ium-4-yl)phosphonous acid Traditional Name: (5-benzoylimino-3-methyl-1-phenyl-pyrazol-1-ium-4-yl)phosphonous acid Formula: C17H15N3O3P+ MolecularWeight: 340.293061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)C2=CC=CC=C2)[N+](=N1)C3=CC=CC=C3)P(O)O

Isomeric SMILES

CC1=C(C(=NC(=O)C2=CC=CC=C2)[N+](=N1)C3=CC=CC=C3)P(O)O

InChI

InChI=1S/C17H15N3O3P/c1-12-15(24(22)23)16(18-17(21)13-8-4-2-5-9-13)20(19-12)14-10-6-3-7-11-14/h2-11,22-23H,1H3/q+1