(4-carboxyphenyl)-(3,3-dimethylbutyl)-diphenyl-phosphanium bromide

Systemtic Name: (4-carboxyphenyl)-(3,3-dimethylbutyl)-diphenyl-phosphanium bromide Openeye Name: (4-carboxyphenyl)-(3,3-dimethylbutyl)-diphenyl-phosphonium bromide CAS Name: (4-carboxyphenyl)-(3,3-dimethylbutyl)-diphenylphosphonium bromide IUPAC Name: (4-carboxyphenyl)-(3,3-dimethylbutyl)-diphenylphosphanium bromide Traditional Name: (4-carboxyphenyl)-(3,3-dimethylbutyl)-diphenyl-phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27O2P.BrH/c1-25(2,3)18-19-28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)23-16-14-20(15-17-23)24(26)27;/h4-17H,18-19H2,1-3H3;1H