bis(3,3-dimethylbut-1-ynyl)-phenyl-(phenylmethyl)phosphanium bromide

Systemtic Name: bis(3,3-dimethylbut-1-ynyl)-phenyl-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-bis(3,3-dimethylbut-1-ynyl)-phenyl-phosphonium bromide CAS Name: bis(3,3-dimethylbut-1-ynyl)-phenyl-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-bis(3,3-dimethylbut-1-ynyl)-phenylphosphanium bromide Traditional Name: benzyl-bis(3,3-dimethylbut-1-ynyl)-phenyl-phosphonium bromide Formula: C25H30BrP MolecularWeight: 441.383461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#C[P+](CC1=CC=CC=C1)(C#CC(C)(C)C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(C)(C)C#C[P+](CC1=CC=CC=C1)(C#CC(C)(C)C)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C25H30P.BrH/c1-24(2,3)17-19-26(20-18-25(4,5)6,23-15-11-8-12-16-23)21-22-13-9-7-10-14-22;/h7-16H,21H2,1-6H3;1H/q+1;/p-1