70167931
  -OEChem-05112421082D

 34 35  0     0  0  0  0  0  0999 V2000
    5.4641    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -1.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727   -1.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611   -2.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.1927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -1.3026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9937   -1.9975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -0.2156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.0922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.4501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132   -1.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.9272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.6928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5206   -3.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5944   -3.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 29  1  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70167931

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwBsAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAfAwPAOwQADAAAYAACCAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,5-diallylnaphthalene-1,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
2,5-bis(prop-2-enyl)naphthalene-1,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,5-bis(prop-2-enyl)naphthalene-1,4-diol

> <PUBCHEM_IUPAC_NAME>
2,5-bis(prop-2-enyl)naphthalene-1,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,5-bis(prop-2-enyl)naphthalene-1,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,5-diallylnaphthalene-1,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16O2/c1-3-6-11-8-5-9-13-15(11)14(17)10-12(7-4-2)16(13)18/h3-5,8-10,17-18H,1-2,6-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
DKRZBKHQLRRCBO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
240.115029749

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16O2

> <PUBCHEM_MOLECULAR_WEIGHT>
240.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCC1=C2C(=CC=C1)C(=C(C=C2O)CC=C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCC1=C2C(=CC=C1)C(=C(C=C2O)CC=C)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.115029749

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  14  8
3  4  8
3  5  8
3  8  8
4  11  8
4  7  8
5  12  8
6  7  8
6  9  8
8  9  8

$$$$