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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Ammonium iron (III) citrate

Inventory

EC number:
214-686-6
EC name:
Ammonium iron(III) citrate
CAS number:
1185-57-5
CAS number:
1185-57-5
Synonyms
Names:
Identifier:
IUPAC name
2-Hydroxypropane-1,2,3-tricarboxylate, ammonium iron (3+) salt
Identifier:
IUPAC name
2-Hydroxypropane-1,2,3-tricarboxylate, ammonium iron(3+) salt
Identifier:
IUPAC name
ammonium iron(III) citrate
Identifier:
other: SMILES notation
C(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.N.[Fe+3]
Identifier:
other: Molecular formula
C6H8O7.xFe.yNH4
Identifier:
other: Molecular formula
C6H8O7xFexH3N
Identifier:
other: Molecular formula
C6H8O7xH3N
Identifier:
other: InChl
InChI=1/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;/p-3 AuxInfo=1/1/N:2,3,6,7,4,1,10,11,12,13,8,9,5;15;14/E:(1,2)(3,4)(7,8,9,10)(11,12);;/gE:(1,2);;/rA:15nCCCCOCCOO-OO-OO-NFe+3/rB:s1;s1;s1;s1;s2;s3;d4;s4;d6;s6;d7;s7;;;/rC:-1.2345,.0552,0;-.3552,.2793,0;-.6655,-.6207,0;-1.7414,-.669,0;-1.4897,.9345,0;-.1793,.8828,0;.2724,-.431,0;-2.4276,-.769,0;-1.1793,-1.5828,0;-.6276,1.631,0;.5828,.8793,0;.5828,-1.0828,0;.7448,.1034,0;5.0586,.2414,0;2.6552,.1483,0;

Molecular and structural information

Molecular formula:
C6H8O7.xFe.xH3N
Molecular weight:
264.998
SMILES notation:
N.[Fe+3].OC(=O)CC(O)(CC(=O)O)C(=O)O
InChl:
1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;
Structural formula:
Chemical structure

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