70621824
  -OEChem-04252401212D

 15 13  0     0  0  0  0  0  0999 V2000
    2.2690    3.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5005    5.6200    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.5369    2.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    5.6200    0.0000 H   0  5  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  2   3   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70621824

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
97.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgICAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIACAAACAaAkCAwBoAAAgCAACBCAAACAAAgJUAIikAGC4gIJiKDExKAcAAkwBEImAeAQAAAAAAAAQAACAQAAAACAAAQCAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2,3-dichlorophenol;hydride

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2,3-dichlorophenol;hydride

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2,3-dichlorophenol;hydride

> <PUBCHEM_IUPAC_NAME>
sodium;2,3-dichlorophenol;hydride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2,3-bis(chloranyl)phenol;hydride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2,3-dichlorophenol;hydride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H4Cl2O.Na.H/c7-4-2-1-3-5(9)6(4)8;;/h1-3,9H;;/q;+1;-1

> <PUBCHEM_IUPAC_INCHIKEY>
STDDDZQXOPQWQM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
185.9615144

> <PUBCHEM_MOLECULAR_FORMULA>
C6H5Cl2NaO

> <PUBCHEM_MOLECULAR_WEIGHT>
187.00

> <PUBCHEM_OPENEYE_CAN_SMILES>
[H-].C1=CC(=C(C(=C1)Cl)Cl)O.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[H-].C1=CC(=C(C(=C1)Cl)Cl)O.[Na+]

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.9615144

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
3  15  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  6  8
5  7  8
6  8  8
7  9  8
8  10  8
9  10  8

$$$$