11829632
  -OEChem-05102418562D

 19 19  0     1  0  0  0  0  0999 V2000
    2.0476    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    3.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7019    0.0000 C   0  4  0  0  0  0  0  0  0  0  0  0
    0.5369    3.7019    0.0000 C   0  5  3  0  0  0  0  0  0  0  0  0
    4.0690    4.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    3.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.5819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    5.8566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    5.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    3.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  CHG  2   1   1   9  -1
M  RAD  1   8   2
M  END
> <PUBCHEM_COMPOUND_CID>
11829632

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
197

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwACAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAGAAAAAAADACAAAAAAAAAAACAAiBCAAAAAAAgAAAICAAAAAgIAAAAAQAAAAAAgAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8.Na/c1-2-6-10-8-4-3-7-9(10)5-1;/h1-8H;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
NCVIXNVCXNGGBW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
151.05236954

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8Na

> <PUBCHEM_MOLECULAR_WEIGHT>
151.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
[CH-]1[CH]C=C2C=CC=CC2=C1.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[CH-]1[CH]C=C2C=CC=CC2=C1.[Na+]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
151.05236954

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
2  3  8
2  6  8
3  7  8
6  10  8
7  11  8

$$$$