(4-methoxy-2,5-dimethyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methoxy-2,5-dimethyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methoxy-2,5-dimethyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methoxy-2,5-dimethylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methoxy-2,5-dimethylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-methoxy-2,5-dimethyl-benzyl)-triphenyl-phosphonium bromide Formula: C28H28BrOP MolecularWeight: 491.399081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)OC.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)OC.[Br-]

InChI

InChI=1S/C28H28OP.BrH/c1-22-20-28(29-3)23(2)19-24(22)21-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27;/h4-20H,21H2,1-3H3;1H/q+1;/p-1