70565904
  -OEChem-05072412462D

 25 25  0     0  0  0  0  0  0999 V2000
    1.4030    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629    3.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0690    2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    6.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024    6.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    0.6554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    3.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    1.4771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    3.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124    5.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1124    7.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924    7.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4924    5.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70565904

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
133

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwBsAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwLAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethylene;naphthalen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
ethene;1-naphthalenol

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethene;naphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
ethene;naphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethene;naphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene;1-naphthol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8O.C2H4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7,11H;1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
HGFLBEOTKBNCSN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
172.088815002

> <PUBCHEM_MOLECULAR_FORMULA>
C12H12O

> <PUBCHEM_MOLECULAR_WEIGHT>
172.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=C.C1=CC=C2C(=C1)C=CC=C2O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C.C1=CC=C2C(=C1)C=CC=C2O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
172.088815002

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
2  3  8
2  4  8
2  6  8
3  5  8
3  7  8
4  8  8
5  9  8
6  10  8
7  11  8
8  9  8

$$$$