(4-ethylphenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-ethylphenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-ethylphenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-ethylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-ethylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-ethylbenzyl)-triphenyl-phosphonium bromide Formula: C27H26BrP MolecularWeight: 461.373101

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H26P.BrH/c1-2-23-18-20-24(21-19-23)22-28(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1