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Reference substances

Reference substances

IUPAC name:
1,5-dimethyl 3-methyl-9-oxo-2,4-bis(pyridin-2-yl)-7-[(pyridin-2-yl)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate dichloroiron hydrate

Inventory

CAS number:
478945-46-9
Synonyms
Names:
Identifier:
other: name
Iron(1+), chloro[dimethyl 9,9-dihydroxy-3-methyl-2,4-di(2-pyridinyl-κN)-7-[(2-pyridinyl-κN)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate-κN3,κN7]-, chloride (1:1)
Identifier:
other: name
Iron(1+), chloro[dimethyl 9,9-dihydroxy-3-methyl-2,4-di(2-pyridinyl-κN)-7-[(2-pyridinyl-κN)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate-κN3,κN7]-, chloride (1:1), (OC-6-52)-
Identifier:
other: name
Iron(1+), chloro[dimethyl 9,9-dihydroxy-3-methyl-2,4-di(2-pyridinyl-κN)-7-[(2-pyridinyl-κN)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate-κN3,κN7]-, chloride (1:1), (OC-6-63)-
Iron(1+), chloro[dimethyl 9,9-dihydroxy-3-methyl-2,4-di(2-pyridinyl-kN)-7-[(2-pyridinyl-kN)methyl]-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate-kN3,kN7]-, chloride

Molecular and structural information

Molecular formula:
C28H31N5O6FeCl2
Molecular weight:
ca. 660.36
SMILES notation:
[Cl-].COC(=O)C12C[N]34CC5=CC=CC=[N]5[Fe]335([Cl-])[N]6=CC=CC=C6C1[N]3(C)C(C1=CC=CC=[N]51)C(C4)(C(=O)OC)C2(O)O
InChl:
InChI=1S/C28H29N5O5.2ClH.Fe.H2O/c1-32-22(20-11-5-8-14-30-20)27(25(35)37-2)17-33(16-19-10-4-7-13-29-19)18-28(24(27)34,26(36)38-3)23(32)21-12-6-9-15-31-21;;;;/h4-15,22-23H,16-18H2,1-3H3;2*1H;;1H2/q;;;+2;/p-2
Structural formula:
Chemical structure

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