Molecule:100826

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Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	Fe(pTMAPP)Cl5
Trivialname	n/a
Exact mass	1077.2878477242
Molecular formula	C56H62Cl5FeN8+2
LogP	n/a
Has vendors	n/a
Molecular role	n/a
Synonyms	n/a

Fe(pTMAPP)Cl5

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InChI	1S/C56H60N8.5ClH.Fe/c1-61(2,3)41-21-13-37(14-22-41)53-45-29-31-47(57-45)54(38-15-23-42(24-16-38)62(4,5)6)49-33-35-51(59-49)56(40-19-27-44(28-20-40)64(10,11)12)52-36-34-50(60-52)55(48-32-30-46(53)58-48)39-17-25-43(26-18-39)63(7,8)9;;;;;;/h13-36H,1-12H3;5*1H;/q+2;;;;;;+5/p-5/b53-45-,53-46-,54-47-,54-49-,55-48-,55-50-,56-51-,56-52-;;;;;;
InChI-Key	LKNRTBVZMCBYCY-NGWNFTKISA-I
SMILES	C1C=C2C(C3C=CC([N+](C)(C)C)=CC=3)=C3C=CC4C(C5C=CC([N+](C)(C)C)=CC=5)=C5N6~[Fe+3](~[Cl-])7(~N2C=1C(C1C=CC([N+](C)(C)C)=CC=1)=C1N7=C(C(C2C=CC([N+](C)(C)C)=CC=2)=C6C=C5)C=C1)N3=4.[Cl-].[Cl-].[Cl-].[Cl-]

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