6909
  -OEChem-05112408132D

 12 12  0     0  0  0  0  0  0999 V2000
    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 Cl  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
    2.0000    1.0000    0.0000 O   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 N   0  0  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
    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
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  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  END
> <PUBCHEM_COMPOUND_CID>
6909

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
202

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBDMAAGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAABgAAIAAAAAAAAAABAAIAAAAIAAAAEAAAAAAAAAAAAAAAAACAAAAAAAAAAAAIASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME>
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,5-tris(chloranyl)-1,3,5-triazinane-2,4,6-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
symclosene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

> <PUBCHEM_IUPAC_INCHIKEY>
YRIZYWQGELRKNT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
230.900524

> <PUBCHEM_MOLECULAR_FORMULA>
C3Cl3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
232.41

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
60.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.900524

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <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

$$$$