70289502
  -OEChem-04232421352D

 46 46  0     0  0  0  0  0  0999 V2000
    8.9282    1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.9150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163    0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 15  1  0  0  0  0
  4 35  1  0  0  0  0
  5 15  2  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  3  0  0  0
  9 15  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70289502

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
482

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIyDoAABgCIAiDSCAACCAAgIAAIiAEGCMgMJzKEMRqCcCAlwBUIuYeI5CwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(2,4-dimethoxyphenyl)methylene]-5-(2-methylprop-2-enoyloxy)pentanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methyl-1-oxoprop-2-enoxy)pentanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methylprop-2-enoyloxy)pentanoic acid

> <PUBCHEM_IUPAC_NAME>
2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methylprop-2-enoyloxy)pentanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methylprop-2-enoyloxy)pentanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2,4-dimethoxyphenyl)-2-(3-methacryloyloxypropyl)acrylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H22O6/c1-12(2)18(21)24-9-5-6-14(17(19)20)10-13-7-8-15(22-3)11-16(13)23-4/h7-8,10-11H,1,5-6,9H2,2-4H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
XCTYMLCCPBWYCD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
334.14163842

> <PUBCHEM_MOLECULAR_FORMULA>
C18H22O6

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C(=O)OCCCC(=CC1=C(C=C(C=C1)OC)OC)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)C(=O)OCCCC(=CC1=C(C=C(C=C1)OC)OC)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
82.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.14163842

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
13  16  8
14  18  8
16  17  8
17  18  8
9  11  1

$$$$