70678709
  -OEChem-04262402582D

 26 26  0     0  0  0  0  0  0999 V2000
    4.2690    2.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2028    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  2  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 11 12  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70678709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
362

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOCAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAGgAACAAADASgmAIwAIAAAgCIAqBSAAICAAAkIAAIiAFAAMgIMDKAFRCAYQAkwAEIiYeLzPCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;3-(2-hydroxyethyl)-1,4-dioxo-naphthalen-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;3-(2-hydroxyethyl)-1,4-dioxo-2-naphthalenolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;3-(2-hydroxyethyl)-1,4-dioxonaphthalen-2-olate

> <PUBCHEM_IUPAC_NAME>
sodium;3-(2-hydroxyethyl)-1,4-dioxonaphthalen-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;3-(2-hydroxyethyl)-1,4-bis(oxidanylidene)naphthalen-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;3-(2-hydroxyethyl)-1,4-diketo-naphthalen-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10O4.Na/c13-6-5-9-10(14)7-3-1-2-4-8(7)11(15)12(9)16;/h1-4,13,16H,5-6H2;/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
NNKGFBSOJQBFRK-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
240.03985305

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9NaO4

> <PUBCHEM_MOLECULAR_WEIGHT>
240.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)[O-])CCO.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)[O-])CCO.[Na+]

> <PUBCHEM_CACTVS_TPSA>
77.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.03985305

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
14  16  8
15  17  8
16  17  8
7  14  8
7  9  8
9  15  8

$$$$