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

Systemtic Name: (4-tert-butyl-3-nitro-phenyl)methyl-triphenyl-phosphanium Openeye Name: (4-tert-butyl-3-nitro-phenyl)methyl-triphenyl-phosphonium CAS Name: (4-tert-butyl-3-nitrophenyl)methyl-triphenylphosphonium IUPAC Name: (4-tert-butyl-3-nitrophenyl)methyl-triphenylphosphanium Traditional Name: (4-tert-butyl-3-nitro-benzyl)-triphenyl-phosphonium Formula: C29H29NO2P+ MolecularWeight: 454.519821

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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-]

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-]

InChI

InChI=1S/C29H29NO2P/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/q+1