4-nitro-2-(triphenylphosphaniumylmethyl)phenolate

Systemtic Name: 4-nitro-2-(triphenylphosphaniumylmethyl)phenolate Openeye Name: 4-nitro-2-(triphenylphosphaniumylmethyl)phenolate CAS Name: 4-nitro-2-(triphenylphosphiniumylmethyl)phenolate IUPAC Name: 4-nitro-2-(triphenylphosphaniumylmethyl)phenolate Traditional Name: 4-nitro-2-(triphenylphosphiniumylmethyl)phenolate Formula: C25H20NO3P MolecularWeight: 413.404961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20NO3P/c27-25-17-16-21(26(28)29)18-20(25)19-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-18H,19H2