11985121
  -OEChem-04182408272D

 21 20  0     0  0  0  0  0  0999 V2000
    3.2693    0.0158    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    3.9489    1.2446    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.2693    1.7384    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.6893    0.4457    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.5897    1.2446    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8492    0.4457    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.6893   -0.4457    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8492   -0.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9489   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -1.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385    1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693    2.3584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990    0.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    0.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2983   -0.3296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5385   -1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -2.3584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  CHG  6   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
11985121

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
68.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAAAAAgAAAAAAAAEiRIkAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAAAAAAAAACAACBCAAAAAAAgAAAICAAAAAgIAAIAAQAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopenta-1,3-diene;cyclopentane;iron

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopenta-1,3-diene;cyclopentane;iron

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopenta-1,3-diene;cyclopentane;iron

> <PUBCHEM_IUPAC_NAME>
cyclopenta-1,3-diene;cyclopentane;iron

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopenta-1,3-diene;cyclopentane;iron

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopenta-1,3-diene;cyclopentane;iron

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q-5;-1;

> <PUBCHEM_IUPAC_INCHIKEY>
XISWFGALECMDCV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
186.013186

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10Fe-6

> <PUBCHEM_MOLECULAR_WEIGHT>
186.03

> <PUBCHEM_OPENEYE_CAN_SMILES>
[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.[Fe]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.[Fe]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
186.013186

> <PUBCHEM_TOTAL_CHARGE>
-6

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  10  6
1  11  6
1  2  6
1  3  6
1  4  6
1  5  6
1  6  6
1  7  6
1  8  6
1  9  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
2  3  8
2  4  8
3  5  8
4  6  8
5  6  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$