tris(2,4-dimethylphenyl)-(phenylmethyl)phosphanium bromide

Systemtic Name: tris(2,4-dimethylphenyl)-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-tris(2,4-dimethylphenyl)phosphonium bromide CAS Name: tris(2,4-dimethylphenyl)-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-tris(2,4-dimethylphenyl)phosphanium bromide Traditional Name: benzyl-tris(2,4-dimethylphenyl)phosphonium bromide Formula: C31H34BrP MolecularWeight: 517.479421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[P+](CC2=CC=CC=C2)(C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)[P+](CC2=CC=CC=C2)(C3=C(C=C(C=C3)C)C)C4=C(C=C(C=C4)C)C)C.[Br-]

InChI

InChI=1S/C31H34P.BrH/c1-22-12-15-29(25(4)18-22)32(21-28-10-8-7-9-11-28,30-16-13-23(2)19-26(30)5)31-17-14-24(3)20-27(31)6;/h7-20H,21H2,1-6H3;1H/q+1;/p-1