(3-carboxy-4-nitro-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (3-carboxy-4-nitro-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-carboxy-4-nitro-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-carboxy-4-nitrophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-carboxy-4-nitrophenyl)methyl-triphenylphosphanium bromide Traditional Name: (3-carboxy-4-nitro-benzyl)-triphenyl-phosphonium bromide Formula: C26H21BrNO4P MolecularWeight: 522.327001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20NO4P.BrH/c28-26(29)24-18-20(16-17-25(24)27(30)31)19-32(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H