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Fentonium bromide
[CAS# 5868-06-4]

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CAS#: 5868-06-4
Product: Fentonium bromide
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Identification
Name Fentonium bromide
Synonyms [8-Methyl-8-[2-Oxo-2-(4-Phenylphenyl)Ethyl]-8-Azoniabicyclo[3.2.1]Octan-3-Yl] 3-Hydroxy-2-Phenyl-Propanoate Bromide; 3-Hydroxy-2-Phenylpropanoic Acid [8-Methyl-8-[2-Oxo-2-(4-Phenylphenyl)Ethyl]-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide; 3-Hydroxy-2-Phenyl-Propionic Acid [8-[2-Keto-2-(4-Phenylphenyl)Ethyl]-8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl] Ester Bromide
Molecular Structure CAS#: 5868-06-4, Fentonium bromide
Molecular Formula C31H34BrNO4
Molecular Weight 564.52
CAS Registry Number 5868-06-4
EINECS 227-520-2
SMILES C1=CC(=CC=C1C(C[N+]2(C)C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)=O)C5=CC=CC=C5.[Br-]
InChI 1S/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1
InChIKey MPLNGQBULSHWQW-UHFFFAOYSA-M
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