(3,3-dimethyl-2-oxidanylidene-butyl)-triphenyl-phosphanium bromide

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl)-triphenyl-phosphanium bromide Openeye Name: (3,3-dimethyl-2-oxo-butyl)-triphenyl-phosphonium bromide CAS Name: (3,3-dimethyl-2-oxobutyl)-triphenylphosphonium bromide IUPAC Name: (3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide Traditional Name: (2-keto-3,3-dimethyl-butyl)-triphenyl-phosphonium bromide Formula: C24H26BrOP MolecularWeight: 441.340401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26OP.BrH/c1-24(2,3)23(25)19-26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1