70578834
  -OEChem-05142407592D

 57 58  0     0  0  0  0  0  0999 V2000
    5.1350    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    5.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    4.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244   -5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230   -6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -6.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -5.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771   -3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 57  1  0  0  0  0
  4 18  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7 20  2  0  0  0  0
  8 13  2  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  2  3  0  0  0
 11 24  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 17  2  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  2  3  0  0  0
 15 26  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 21  2  3  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 23  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 29  1  0  0  0  0
 27 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70578834

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
604

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASAmAAyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuYeI7KzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[4-(1-ethylprop-1-enoxy)-2-hydroxy-phenyl]-3-[2-(1-ethylprop-1-enoxy)phenyl]prop-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-hydroxy-4-pent-2-en-3-yloxyphenyl)-3-(2-pent-2-en-3-yloxyphenyl)-2-propen-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-hydroxy-4-pent-2-en-3-yloxyphenyl)-3-(2-pent-2-en-3-yloxyphenyl)prop-2-en-1-one

> <PUBCHEM_IUPAC_NAME>
1-(2-hydroxy-4-pent-2-en-3-yloxyphenyl)-3-(2-pent-2-en-3-yloxyphenyl)prop-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-oxidanyl-4-pent-2-en-3-yloxy-phenyl)-3-(2-pent-2-en-3-yloxyphenyl)prop-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[4-(1-ethylprop-1-enoxy)-2-hydroxy-phenyl]-3-[2-(1-ethylprop-1-enoxy)phenyl]prop-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H28O4/c1-5-19(6-2)28-21-14-15-22(24(27)17-21)23(26)16-13-18-11-9-10-12-25(18)29-20(7-3)8-4/h5,7,9-17,27H,6,8H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
XHIMXLXMUKALLF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.9

> <PUBCHEM_EXACT_MASS>
392.19875937

> <PUBCHEM_MOLECULAR_FORMULA>
C25H28O4

> <PUBCHEM_MOLECULAR_WEIGHT>
392.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=CC)OC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2OC(=CC)CC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=CC)OC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2OC(=CC)CC)O

> <PUBCHEM_CACTVS_TPSA>
55.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.19875937

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
3

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  25  1
12  17  8
14  27  1
16  21  1
19  22  8
20  23  8
22  23  8
5  19  8
5  7  8
6  12  8
6  9  8
7  20  8
8  13  8
8  17  8
9  13  8

$$$$