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Details

Stereochemistry ACHIRAL
Molecular Formula 3C12H8N2.Fe
Molecular Weight 596.461
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of FERROIN ION

SMILES

[Fe++].C1=CN=C2C(C=CC3=C2N=CC=C3)=C1.C4=CN=C5C(C=CC6=C5N=CC=C6)=C4.C7=CN=C8C(C=CC9=C8N=CC=C9)=C7

InChI

InChIKey=LNQCJIZJBYZCME-UHFFFAOYSA-N
InChI=1S/3C12H8N2.Fe/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3*1-8H;/q;;;+2

HIDE SMILES / InChI

Molecular Formula Fe
Molecular Weight 55.845
Charge 2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H8N2
Molecular Weight 180.2053
Charge 0
Count
MOL RATIO 3 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
F5Q986P32R
Record Status Validated (UNII)
Record Version