78681
  -OEChem-05092406122D

 11 10  0     0  0  0  0  0  0999 V2000
    3.3968    1.1739    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8090    0.3649    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    0.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -0.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.0313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734   -1.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9446   -1.6755    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  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
78681

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
23.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgACAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAABAAAAGAAAAAAACACAEAAwAIAAAACAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_NAME>
sodium;cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
OHUVHDUNQKJDKW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
88.02889444

> <PUBCHEM_MOLECULAR_FORMULA>
C5H5Na

> <PUBCHEM_MOLECULAR_WEIGHT>
88.08

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
88.02889444

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
2  3  8
2  4  8
3  5  8
4  6  8
5  6  8

$$$$