72201034
  -OEChem-05112403142D

 22 22  0     0  0  0  0  0  0999 V2000
    2.0000    1.1550    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3 15  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
72201034

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
232

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMCAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwDsAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYfKyPCOwAADAAAYAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;4-hydroxynaphthalene-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;4-hydroxy-2-naphthalenecarboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;4-hydroxynaphthalene-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
sodium;4-hydroxynaphthalene-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;4-oxidanylnaphthalene-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;4-hydroxy-2-naphthoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8O3.Na/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10;/h1-6,12H,(H,13,14);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HWKMGADUBUDYSW-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
210.02928836

> <PUBCHEM_MOLECULAR_FORMULA>
C11H7NaO3

> <PUBCHEM_MOLECULAR_WEIGHT>
210.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=C(C=C2O)C(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=C(C=C2O)C(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.02928836

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
12  14  8
13  14  8
5  11  8
5  6  8
5  7  8
6  12  8
6  8  8
7  10  8
8  9  8
9  10  8

$$$$