(5-methyl-2-oxidanylidene-heptyl)-triphenyl-phosphanium bromide

Systemtic Name: (5-methyl-2-oxidanylidene-heptyl)-triphenyl-phosphanium bromide Openeye Name: (5-methyl-2-oxo-heptyl)-triphenyl-phosphonium bromide CAS Name: (5-methyl-2-oxoheptyl)-triphenylphosphonium bromide IUPAC Name: (5-methyl-2-oxoheptyl)-triphenylphosphanium bromide Traditional Name: (2-keto-5-methyl-heptyl)-triphenyl-phosphonium bromide Formula: C26H30BrOP MolecularWeight: 469.393561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30OP.BrH/c1-3-22(2)19-20-23(27)21-28(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-18,22H,3,19-21H2,1-2H3;1H/q+1;/p-1