24639
 OpenBabel05082101102D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.8660    0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.2690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    3.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5560    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
>  <PUBCHEM_COMPOUND_CID>
24639

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
95.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYACOAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonium;perchlorate

>  <PUBCHEM_IUPAC_CAS_NAME>
ammonium;perchlorate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
azanium;perchlorate

>  <PUBCHEM_IUPAC_NAME>
azanium;perchlorate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanium;perchlorate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonium;perchlorate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
HHEFNVCDPLQQTP-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
116.982885

>  <PUBCHEM_MOLECULAR_FORMULA>
ClH4NO4

>  <PUBCHEM_MOLECULAR_WEIGHT>
117.49

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[NH4+].[O-]Cl(=O)(=O)=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[NH4+].[O-]Cl(=O)(=O)=O

>  <PUBCHEM_CACTVS_TPSA>
75.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
116.982885

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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_COORDINATE_TYPE>
1
5
255

$$$$
