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Calmidazolium
[CAS# 95013-41-5]

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CAS#: 95013-41-5
Product: Calmidazolium
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Identification
Name Calmidazolium
Synonyms 1-[Bis(4-Chlorophenyl)Methyl]-3-[2-(2,4-Dichlorobenzyl)Oxy-2-(2,4-Dichlorophenyl)Ethyl]Imidazol-3-Ium; Lopac0_000272; 3-[Bis(4-Chlorophenyl)Methyl]-1-[2-(2,4-Dichlorophenyl)-2-[(2,4-Dichlorophenyl)
Molecular Structure CAS#: 95013-41-5, Calmidazolium
Molecular Formula C31H23Cl6N2O
Molecular Weight 652.25
CAS Registry Number 95013-41-5
SMILES C3=[N+](C(C1=CC=C(C=C1)Cl)C2=CC=C(Cl)C=C2)C=C[N]3CC(C4=C(C=C(Cl)C=C4)Cl)OCC5=CC=C(C=C5Cl)Cl
InChI 1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1
InChIKey CTKNMSVWMRRCPW-UHFFFAOYSA-N
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