220225
  -OEChem-05092405032D

 12 12  0     0  0  0  0  0  0999 V2000
    3.3660   -1.6160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.6160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    1.6160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
220225

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
252

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADAAMHAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2&lambda;<SUP>5</SUP>,4&lambda;<SUP>5</SUP>,6&lambda;<SUP>5</SUP>-triphosphacyclohexa-1,3,5-triene

> <PUBCHEM_IUPAC_NAME>
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,4,4,6,6-hexakis(chloranyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10

> <PUBCHEM_IUPAC_INCHIKEY>
UBIJTWDKTYCPMQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
346.740674

> <PUBCHEM_MOLECULAR_FORMULA>
Cl6N3P3

> <PUBCHEM_MOLECULAR_WEIGHT>
347.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
37.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
344.743624

> <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

$$$$