516871
  -OEChem-04232403462D

  4  2  0     0  0  0  0  0  0999 V2000
    2.8660   -0.5000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  3  4  3  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
516871

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
34.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACACBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;thiocyanate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;thiocyanate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;thiocyanate

> <PUBCHEM_IUPAC_NAME>
sodium;thiocyanate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;thiocyanate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;thiocyanate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
VGTPCRGMBIAPIM-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
80.96491446

> <PUBCHEM_MOLECULAR_FORMULA>
CNNaS

> <PUBCHEM_MOLECULAR_WEIGHT>
81.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)[S-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)[S-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
24.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
80.96491446

> <PUBCHEM_TOTAL_CHARGE>
0

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$