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Reference substances

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IUPAC name:
sodium 4,4'-dioxo-4,4',5-5'-tetrahydro-2,2'-spirobi[benzo[d]1,3-dioxa-2-ferracycloheptan]-2-uide ethane-1,2-diamine

Inventory

EC number:
240-505-5
EC name:
Sodium [[α,α'-(ethylenediimino)bis[2-hydroxybenzene-1-acetato]](4-)]ferrate(1-)
CAS number:
16455-61-1
CAS number:
16455-61-1
Synonyms
Names:
Ferrate(1-), ((alpha,alpha'-(1,2-ethanediyldi(imino-kappaN))bis(2-(hydroxy-kappaO)benzeneacetato-kappaO))(4-))-, sodium (1:1)
Ferrate(1-), ((alpha,alpha'-(1,2-ethanediyldi(imino-kappaN))bis(2-(hydroxy-kappaO)benzeneacetato-kappaO))(4-))-, sodium,
sodium;ethane-1,2-diamine;2-(2-hydroxyphenyl)acetic acid;iron
Identifier:
IUPAC name
[[alpha,alpha'-[1,2-ethanediyldiimino]bis[2-(hydroxy-benzeneacetic acid] ] (4-)] ferrate(1-), sodium salt
Identifier:
IUPAC name
[[alpha,alpha'-[1,2-ethanediyldiimino]bis[2-(hydroxy-benzeneacetic acid] ] (4-)] ferrate(1-), sodium salt
Identifier:
IUPAC name
[[alpha,alpha'-[1,2-ethanediyldiimino]bis[2-hydroxy-benzeneacetic acid] ] (4-)] ferrate(1-), sodium salt
Identifier:
IUPAC name
sodium [[α,α'-(ethylenediimino)bis[2-hydroxybenzene-1-acetato]](4-)]ferrate(1-)
Identifier:
IUPAC name
sodium;2-[2-[[carboxylato-(2-oxidophenyl)methyl]amino]ethylamino]-2-(2-oxidophenyl)acetate;iron(3+)
Identifier:
other: InChl
1S/C18H20N2O6.Fe.Na/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22;;/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26);;/q;+3;+1/p-4
Identifier:
other: Molecular formula
C18 H16 Fe N2 O6 .Na
Identifier:
other: SMILES notation
C1=CC=C(C(=C1)C(C(=O)[O-])NCCNC(C2=CC=CC=C2[O-])C(=O)[O-])[O-].[Na+].[Fe+3]
Identifier:
other: SMILES notation
C1=CC=C(C(=C1)CC(=O)O)O.C1=CC=C(C(=C1)CC(=O)O)O.C(CN)N.[Na+].[Fe]
Identifier:
other: InChl
InChI=1S/2C8H8O3.C2H8N2.Fe.Na/c2*9-7-4-2-1-3-6(7)5-8(10)11;3-1-2-4;;/h2*1-4,9H,5H2,(H,10,11);1-4H2;;/q;;;+3;+1/p-4 Key: HVQZUICZFSWGGQ-UHFFFAOYSA-J
Identifier:
other: SMILES notation
Not specified
Identifier:
other: SMILES notation
[Na+].NCCN.O=C1Cc2ccccc2O[Fe-]3(OC(=O)Cc4ccccc4O3)O1 Note: chirality not included.
Identifier:
other: SMILES notation
n/a
Identifier:
other: InChl
n/a

Molecular and structural information

Molecular formula:
C18H16FeN2O6.Na
Molecular weight:
439.199
SMILES notation:
[Fe-]12(Oc3c(cccc3)CC(O1)=O)Oc1c(cccc1)CC(O2)=O.C(CN)N.[Na+]
InChl:
InChI=1/2C8H8O3.C2H8N2.Fe.Na/c2*9-7-4-2-1-3-6(7)5-8(10)11;3-1-2-4;;/h2*1-4,9H,5H2,(H,10,11);1-4H2;;/q;;;+3;+1/p-4/rC16H12FeO6.C2H8N2.Na/c18-15-9-11-5-1-3-7-13(11)20-17(22-15)21-14-8-4-2-6-12(14)10-16(19)23-17;3-1-2-4;/h1-8H,9-10H2;1-4H2;/q-1;;+1
Structural formula:
Chemical structure

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