24867533
  -OEChem-04192422232D

 71 46  0     0  0  0  0  0  0999 V2000
    3.1043    5.5270    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    4.9837    6.2111    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    1.5954    4.2611    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    8.4323    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    8.4323    2.5000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    8.4323    5.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    8.4323    7.5000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    8.4323   10.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   10.9323    5.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0440    5.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615    4.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    6.1698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2780    4.5422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043    6.5270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    5.3534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497    6.8539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573    7.1959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497    5.7111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4837    7.0771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573    5.2263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.0876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.4349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4219    3.2762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616    3.6182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    5.2460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7340    6.4060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0441    4.9730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8508    4.8688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633    6.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277    6.0621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382    6.7897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880    4.0053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    3.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606    4.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7943    7.0640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7942    5.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164    7.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    5.0434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    4.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    5.6634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867    7.1639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8574    7.4644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3323    6.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2650    7.8065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3694    6.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7588    6.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4323    5.4990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3866    6.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9574    5.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732    7.1849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1738    7.6141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6958    7.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3694    5.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4674    4.6894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    4.6437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279    3.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093    4.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    3.5050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0092    3.9600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006    4.9718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    2.6935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392    3.0642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7318    2.7394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2540    4.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8364    3.2197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3616    2.9982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044    5.4580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1118    5.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113    5.3538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
M  CHG  6   4  -1   5  -1   6  -1   7  -1   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24867533

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
20.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
22

> <PUBCHEM_CACTVS_HBOND_DONOR>
16

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfAD8AAHAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonia;ruthenium;hexachloride;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;ruthenium;hexachloride;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;ruthenium;hexachloride;dihydrate

> <PUBCHEM_IUPAC_NAME>
azane;ruthenium;hexachloride;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;ruthenium;hexachloride;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;ruthenium;hexachloride;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/p-6

> <PUBCHEM_IUPAC_INCHIKEY>
SDLCBYHDVJPIMV-UHFFFAOYSA-H

> <PUBCHEM_EXACT_MASS>
792.91832

> <PUBCHEM_MOLECULAR_FORMULA>
Cl6H46N14O2Ru3-6

> <PUBCHEM_MOLECULAR_WEIGHT>
790.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru]

> <PUBCHEM_OPENEYE_ISO_SMILES>
N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru].[Ru].[Ru]

> <PUBCHEM_CACTVS_TPSA>
16

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
789.91895

> <PUBCHEM_TOTAL_CHARGE>
-6

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
25

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  10  6
1  11  6
1  12  6
1  13  6
1  14  6
1  15  6
2  10  6
2  16  6
2  17  6
2  18  6
2  19  6
2  20  6
3  11  6
3  21  6
3  22  6
3  23  6
3  24  6
3  25  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$