2723922
  -OEChem-04232405482D

  9  7  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
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  4  9  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
2723922

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
6

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAAAACggAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;ethanolate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;ethanolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;ethanolate

> <PUBCHEM_IUPAC_NAME>
sodium;ethanolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;ethanolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;ethanolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H5O.Na/c1-2-3;/h2H2,1H3;/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
QDRKDTQENPPHOJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
68.02380906

> <PUBCHEM_MOLECULAR_FORMULA>
C2H5NaO

> <PUBCHEM_MOLECULAR_WEIGHT>
68.05

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
23.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
68.02380906

> <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

$$$$