9548875
  -OEChem-04262418022D

 71 46  0     0  0  0  0  0  0999 V2000
    5.5195    3.0042    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    6.8051    4.5363    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    4.1106    1.5955    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5706    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.2002    8.1411    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.2002   10.6411    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.2002   13.1411    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   10.4005    6.5706    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   12.9005    6.5706    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.1623    3.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8767    2.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6535    3.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1624    2.2382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    4.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3856    2.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6711    5.0363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7899    4.3626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6315    5.5211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479    3.7702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9391    5.0363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677    0.8295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106    1.5956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2844    0.6106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0505    1.2534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    2.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6373    3.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5797    3.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593    2.4502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2660    2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    3.8142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0710    3.2922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4415    4.0868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5610    1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546    2.8488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6876    1.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2095    4.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    4.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9945    4.4027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9225    2.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    2.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2779    1.8936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1461    5.4348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6711    5.6563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2817    4.9286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4005    4.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3150    4.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2073    4.1505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6315    6.1411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1064    5.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1566    5.9197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3403    3.1596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8464    3.2953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0678    3.7702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291    5.5732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285    5.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5590    5.0363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691    0.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8570    0.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4677    0.2095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.7033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007    2.1326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357    1.1971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3921    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9744    0.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    0.3008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6329    1.0413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    1.8359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2625    0.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512    2.7472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3701    3.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1486    2.5352    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  8   1   4   2   5   3   5   4  -1   5  -1   6  -1   7  -1   8  -1
M  CHG  1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
9548875

> <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(4+);ruthenium(5+);hexachloride;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;ruthenium(4+);ruthenium(5+);hexachloride;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;ruthenium(4+);ruthenium(5+);hexachloride;dihydrate

> <PUBCHEM_IUPAC_NAME>
azane;ruthenium(4+);ruthenium(5+);hexachloride;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;ruthenium(4+);ruthenium(5+);hexachloride;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;ruthenium(4+);ruthenium(5+);hexachloride;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/6ClH.14H3N.2H2O.3Ru/h6*1H;14*1H3;2*1H2;;;/q;;;;;;;;;;;;;;;;;;;;;;+4;2*+5/p-6

> <PUBCHEM_IUPAC_INCHIKEY>
CIBHIQPXTCXIRW-UHFFFAOYSA-H

> <PUBCHEM_EXACT_MASS>
792.91832

> <PUBCHEM_MOLECULAR_FORMULA>
Cl6H46N14O2Ru3+8

> <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+4].[Ru+5].[Ru+5]

> <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+4].[Ru+5].[Ru+5]

> <PUBCHEM_CACTVS_TPSA>
16

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
789.91895

> <PUBCHEM_TOTAL_CHARGE>
8

> <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

$$$$