145326
 OpenBabel05082101102D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
145326

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
13.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQIAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;oxido(oxo)borane

>  <PUBCHEM_IUPAC_CAS_NAME>
sodium;oxido(oxo)borane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;oxido(oxo)borane

>  <PUBCHEM_IUPAC_NAME>
sodium;oxido(oxo)borane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;oxidanidyl(oxidanylidene)borane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;keto(oxido)borane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/BO2.Na/c2-1-3;/q-1;+1

>  <PUBCHEM_IUPAC_INCHIKEY>
NVIFVTYDZMXWGX-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
65.988904

>  <PUBCHEM_MOLECULAR_FORMULA>
BNaO2

>  <PUBCHEM_MOLECULAR_WEIGHT>
65.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
B(=O)[O-].[Na+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
B(=O)[O-].[Na+]

>  <PUBCHEM_CACTVS_TPSA>
40.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
65.988904

>  <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

$$$$
