517121
  -OEChem-04242413582D

 12 11  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  CHG  2   3   1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
517121

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
225

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDMCAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAABgAAIAAAAAAAAAABAAIAAAAIAAAAEAAAAAAAAAAAAAAAAACAAAAAAAAAAAAIASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME>
sodium;1,3-dichloro-1,3-diaza-5-azanidacyclohexane-2,4,6-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;1,3-bis(chloranyl)-1,3-diaza-5-azanidacyclohexane-2,4,6-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;1,3-dichloro-s-triazin-5-ide-2,4,6-trione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
MSFGZHUJTJBYFA-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
218.9214405

> <PUBCHEM_MOLECULAR_FORMULA>
C3Cl2N3NaO3

> <PUBCHEM_MOLECULAR_WEIGHT>
219.94

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=O)[N-]C(=O)N(C(=O)N1Cl)Cl.[Na+]

> <PUBCHEM_CACTVS_TPSA>
58.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.9214405

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
3  7  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  10  8
7  11  8
8  10  8
8  12  8
9  11  8
9  12  8

$$$$