56642922
  -OEChem-04262423522D

 36 36  0     0  0  0  0  0  0999 V2000
   10.7282    2.5000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.8622    2.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7282    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7841    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3856    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3 22  2  0  0  0  0
  4 23  1  0  0  0  0
  5 23  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 18 22  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 23  1  0  0  0  0
 21 36  1  0  0  0  0
M  CHG  3   1   1   2  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
56642922

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
441

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAQAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAYAAAADAiBngAz+PJqEACoAybybASShCkhAiAcmCEwZJiIIPLAkZGEIAhkmALIyCeYpsAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;(2Z)-2-[(4-methyl-2-quinolyl)hydrazono]pentanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;(2Z)-2-[(4-methyl-2-quinolinyl)hydrazinylidene]pentanedioate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;(2<I>Z</I>)-2-[(4-methylquinolin-2-yl)hydrazinylidene]pentanedioate

> <PUBCHEM_IUPAC_NAME>
potassium;(2Z)-2-[(4-methylquinolin-2-yl)hydrazinylidene]pentanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;(2Z)-2-[(4-methylquinolin-2-yl)hydrazinylidene]pentanedioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;(2Z)-2-[(4-methyl-2-quinolyl)hydrazono]glutarate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H15N3O4.K/c1-9-8-13(16-11-5-3-2-4-10(9)11)18-17-12(15(21)22)6-7-14(19)20;/h2-5,8H,6-7H2,1H3,(H,16,18)(H,19,20)(H,21,22);/q;+1/p-2/b17-12-;

> <PUBCHEM_IUPAC_INCHIKEY>
HXMBEQXNZWHNTB-HBPAQXCTSA-L

> <PUBCHEM_EXACT_MASS>
338.05431239

> <PUBCHEM_MOLECULAR_FORMULA>
C15H13KN3O4-

> <PUBCHEM_MOLECULAR_WEIGHT>
338.38

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NC2=CC=CC=C12)NN=C(CCC(=O)[O-])C(=O)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NC2=CC=CC=C12)N/N=C(/CCC(=O)[O-])\C(=O)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.05431239

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  17  8
12  13  8
14  19  8
17  21  8
19  21  8
6  11  8
6  13  8
9  10  8
9  11  8
9  14  8

$$$$