3-chloranyl-N-oxidanyl-4-(3-triphenylphosphaniumylpropoxy)benzeneamine oxide

Systemtic Name: 3-chloranyl-N-oxidanyl-4-(3-triphenylphosphaniumylpropoxy)benzeneamine oxide Openeye Name: 3-chloro-N-hydroxy-4-(3-triphenylphosphaniumylpropoxy)benzeneamine oxide CAS Name: 3-chloro-N-hydroxy-4-(3-triphenylphosphiniumylpropoxy)benzeneamine oxide IUPAC Name: 3-chloro-N-hydroxy-4-(3-triphenylphosphaniumylpropoxy)benzeneamine oxide Traditional Name: 3-chloro-N-hydroxy-4-(3-triphenylphosphiniumylpropoxy)benzeneamine oxide Formula: C27H26ClNO3P+ MolecularWeight: 478.927001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CCCOC2=C(C=C(C=C2)[NH+](O)[O-])Cl)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[P+](CCCOC2=C(C=C(C=C2)[NH+](O)[O-])Cl)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26ClNO3P/c28-26-21-22(29(30)31)17-18-27(26)32-19-10-20-33(23-11-4-1-5-12-23,24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-18,21,29-30H,10,19-20H2/q+1