23700091
  -OEChem-05142404242D

 24 24  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5173    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0173    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -0.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    3.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338    2.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23700091

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
218

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAAQAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAAAAAADACAmAAwCMAAAACIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAIAAkwAEIiAeIyPCOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;2-(1-naphthyl)acetate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;2-(1-naphthalenyl)acetate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;2-naphthalen-1-ylacetate

> <PUBCHEM_IUPAC_NAME>
potassium;2-naphthalen-1-ylacetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;2-naphthalen-1-ylethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;2-(1-naphthyl)acetate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HPQBUYIHTJNBOM-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
224.02396101

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9KO2

> <PUBCHEM_MOLECULAR_WEIGHT>
224.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
40.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
224.02396101

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  14  8
13  14  8
4  5  8
4  6  8
4  9  8
5  8  8
6  10  8
6  11  8
8  12  8
9  13  8

$$$$