| Stereochemistry | ACHIRAL |
| Molecular Formula | 3C12H8N2.Fe.O4S |
| Molecular Weight | 692.524 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe++].[O-]S([O-])(=O)=O.C1=CC2=CC=C3C=CC=NC3=C2N=C1.C4=CC5=CC=C6C=CC=NC6=C5N=C4.C7=CC8=CC=C9C=CC=NC9=C8N=C7
InChI
InChIKey=CIWXFRVOSDNDJZ-UHFFFAOYSA-L
InChI=1S/3C12H8N2.Fe.H2O4S/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-5(2,3)4/h3*1-8H;;(H2,1,2,3,4)/q;;;+2;/p-2
| 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 |
| Molecular Formula | O4S |
| Molecular Weight | 96.063 |
| 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 | 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 |
