69677413
  -OEChem-05211311332D

 30 28  0     0  0  0  0  0  0999 V2000
    5.3429    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.5369    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.2089    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 18  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 16  2  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 21  1  0  0  0  0
 13 17  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
69677413

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
66.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMDAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAACAyBkAAwxoBAAACAACRCQACCAAAgIgAIiAAGbIgIJiKAkZOAMABk0BEIyAewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;4-aminophenolate

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;4-aminophenolate

> <PUBCHEM_IUPAC_NAME>
disodium;4-aminophenolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;4-azanylphenolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;4-aminophenolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C6H7NO.2Na/c2*7-5-1-3-6(8)4-2-5;;/h2*1-4,8H,7H2;;/q;;2*+1/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
LPDYFCUZTIGTHZ-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
262.069416

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12N2Na2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
262.215419

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)[O-].C1=CC(=CC=C1N)[O-].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)[O-].C1=CC(=CC=C1N)[O-].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
98.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.069416

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  16  8
12  15  8
13  17  8
14  18  8
15  17  8
16  18  8
7  10  8
7  12  8
8  11  8
8  9  8
9  14  8

$$$$