445626
  -OEChem-04242408092D

  9  5  0     0  0  0  0  0  0999 V2000
    3.4030    0.0950    0.0000 Mo  0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5950    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
445626

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAMABAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
molybdenum;sulfanide;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
molybdenum;sulfanide;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
molybdenum;sulfanide;dihydrate

> <PUBCHEM_IUPAC_NAME>
molybdenum;sulfanide;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
molybdenum;sulfanide;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
molybdenum;bisulfide;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Mo.2H2O.H2S/h;3*1H2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
JCFOKJHOVYCJPS-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
166.906429

> <PUBCHEM_MOLECULAR_FORMULA>
H5MoO2S-

> <PUBCHEM_MOLECULAR_WEIGHT>
165.06

> <PUBCHEM_OPENEYE_CAN_SMILES>
O.O.[SH-].[Mo]

> <PUBCHEM_OPENEYE_ISO_SMILES>
O.O.[SH-].[Mo]

> <PUBCHEM_CACTVS_TPSA>
3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
166.906429

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6
1  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$