72303
  DSViewer          3D                             0

 38 39  0  0  0  0  0  0  0  0999 V2000
    8.4598    0.5742    0.0002 O   0  0  0  0  0  0  0  0  0  1
    6.0100   -5.2710   -0.0001 O   0  0  0  0  0  0  0  0  0  2
    6.0614    0.4456    0.0000 C   0  0  0  0  0  0  0  0  0  3
    6.0486   -1.0662    0.0000 C   0  0  0  0  0  0  0  0  0  4
    4.8723   -3.2078   -0.0000 C   0  0  0  0  0  0  0  0  0  5
    4.8833   -1.7240    0.0000 C   0  0  0  0  0  0  0  0  0  6
    4.7431    2.5041   -0.0001 C   0  0  0  0  0  0  0  0  0  7
    4.7699    1.1690   -0.0001 C   0  0  0  0  0  0  0  0  0  8
    7.2037    1.1644    0.0001 C   0  0  0  0  0  0  0  0  0  9
    7.2976   -1.8450   -0.0001 C   0  0  0  0  0  0  0  0  0 10
    6.0185   -3.8825   -0.0001 C   0  0  0  0  0  0  0  0  0 11
    3.5795   -3.9797    0.0000 C   0  0  0  0  0  0  0  0  0 12
    3.4369    3.2479   -0.0002 C   0  0  0  0  0  0  0  0  0 13
    5.9867    3.2584    0.0000 C   0  0  0  0  0  0  0  0  0 14
    7.2819   -3.1727   -0.0001 C   0  0  0  0  0  0  0  0  0 15
    7.1504    2.6230    0.0001 C   0  0  0  0  0  0  0  0  0 16
    2.4008   -3.0589    0.0002 C   0  0  0  0  0  0  0  0  0 17
    3.7196    4.7302   -0.0003 C   0  0  0  0  0  0  0  0  0 18
    1.1709   -3.5693    0.0003 C   0  0  0  0  0  0  0  0  0 19
    2.7197    5.6088   -0.0005 C   0  0  0  0  0  0  0  0  0 20
    3.9440   -1.1710    0.0001 H   0  0  0  0  0  0  0  0  0 21
    3.8351    0.6085   -0.0001 H   0  0  0  0  0  0  0  0  0 22
    8.2538   -1.3218   -0.0001 H   0  0  0  0  0  0  0  0  0 23
    3.5402   -4.6075   -0.8902 H   0  0  0  0  0  0  0  0  0 24
    3.5403   -4.6076    0.8901 H   0  0  0  0  0  0  0  0  0 25
    2.8658    2.9842   -0.8903 H   0  0  0  0  0  0  0  0  0 26
    2.8657    2.9843    0.8899 H   0  0  0  0  0  0  0  0  0 27
    5.9619    4.3482   -0.0000 H   0  0  0  0  0  0  0  0  0 28
    8.2194   -3.7287   -0.0002 H   0  0  0  0  0  0  0  0  0 29
    8.0775    3.1962    0.0002 H   0  0  0  0  0  0  0  0  0 30
    2.5474   -1.9788    0.0002 H   0  0  0  0  0  0  0  0  0 31
    4.7505    5.0842   -0.0002 H   0  0  0  0  0  0  0  0  0 32
    9.1526    1.2781    0.0002 H   0  0  0  0  0  0  0  0  0 33
    6.9426   -5.6038   -0.0002 H   0  0  0  0  0  0  0  0  0 34
    1.0294   -4.6501    0.0002 H   0  0  0  0  0  0  0  0  0 35
    0.3057   -2.9064    0.0004 H   0  0  0  0  0  0  0  0  0 36
    1.6872    5.2594   -0.0006 H   0  0  0  0  0  0  0  0  0 37
    2.9334    6.6776   -0.0005 H   0  0  0  0  0  0  0  0  0 38
  1  9  1  0  0  0
  1 33  1  0  0  0
  2 11  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3  9  2  0  0  0
  4  6  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5 11  2  0  0  0
  5 12  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  7 14  1  0  0  0
  8 22  1  0  0  0
  9 16  1  0  0  0
 10 15  2  0  0  0
 10 23  1  0  0  0
 11 15  1  0  0  0
 12 17  1  0  0  0
 12 24  1  0  0  0
 12 25  1  0  0  0
 13 18  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 16  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
 17 19  2  0  0  0
 17 31  1  0  0  0
 18 20  2  0  0  0
 18 32  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72303

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASAmAAwBoAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwPAOoAACAAAIAABAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-oxidanyl-3-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-allyl-2-(3-allyl-4-hydroxy-phenyl)phenol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
FVYXIJYOAGAUQK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
266.131

> <PUBCHEM_MOLECULAR_FORMULA>
C18H18O2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.334

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.131

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
33

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  15  8
14  16  8
3  8  8
3  9  8
4  10  8
4  6  8
5  11  8
5  6  8
7  14  8
7  8  8
9  16  8

$$$$