167786
  -OEChem-04192413272D

 28 25  0     0  0  0  0  0  0999 V2000
    0.0000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    5.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0311    8.1108    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9966    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0656    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1306    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9316    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7287    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    5.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942    4.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211    5.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3411    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    8.4208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942    7.8008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7211    8.6477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3411    7.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  CHG  4   1  -1   2  -1   5   1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
167786

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
103

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBjOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAQAAAACACAgAAACAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGISAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diammonium;hexanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
diammonium;hexanedioate

> <PUBCHEM_IUPAC_NAME_MARKUP>
diazanium;hexanedioate

> <PUBCHEM_IUPAC_NAME>
diazanium;hexanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diazanium;hexanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diammonium;adipate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10O4.2H3N/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);2*1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZRSKSQHEOZFGLJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
180.11100700

> <PUBCHEM_MOLECULAR_FORMULA>
C6H16N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
180.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CCC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CCC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+]

> <PUBCHEM_CACTVS_TPSA>
82.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
180.11100700

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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_COORDINATE_TYPE>
1
5
255

$$$$