methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium bromide

Systemtic Name: methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium bromide Openeye Name: tris[4-(1,1-dimethylpropyl)phenyl]-methyl-phosphonium bromide CAS Name: methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphonium bromide IUPAC Name: methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium bromide Traditional Name: tris(4-tert-amylphenyl)-methyl-phosphonium bromide Formula: C34H48BrP MolecularWeight: 567.622681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H48P.BrH/c1-11-32(4,5)26-14-20-29(21-15-26)35(10,30-22-16-27(17-23-30)33(6,7)12-2)31-24-18-28(19-25-31)34(8,9)13-3;/h14-25H,11-13H2,1-10H3;1H/q+1;/p-1