(4-tert-butyl-3-nitro-phenyl)methyl-triphenyl-phosphanium iodide

Systemtic Name: (4-tert-butyl-3-nitro-phenyl)methyl-triphenyl-phosphanium iodide Openeye Name: (4-tert-butyl-3-nitro-phenyl)methyl-triphenyl-phosphonium iodide CAS Name: (4-tert-butyl-3-nitrophenyl)methyl-triphenylphosphonium iodide IUPAC Name: (4-tert-butyl-3-nitrophenyl)methyl-triphenylphosphanium iodide Traditional Name: (4-tert-butyl-3-nitro-benzyl)-triphenyl-phosphonium iodide Formula: C29H29INO2P MolecularWeight: 581.424291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29NO2P.HI/c1-29(2,3)27-20-19-23(21-28(27)30(31)32)22-33(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-21H,22H2,1-3H3;1H/q+1;/p-1