(4-methoxy-2,3,6-trimethyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methoxy-2,3,6-trimethyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methoxy-2,3,6-trimethyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-methoxy-2,3,6-trimethyl-benzyl)-triphenyl-phosphonium bromide Formula: C29H30BrOP MolecularWeight: 505.425661

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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)C)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C29H30OP.BrH/c1-22-20-29(30-4)24(3)23(2)28(22)21-31(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;/h5-20H,21H2,1-4H3;1H/q+1;/p-1