70626643
  -OEChem-05132422062D

 70 68  0     0  0  0  0  0  0999 V2000
    3.1350    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020   11.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661   13.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   13.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   13.7400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   11.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001   12.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340   10.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661   11.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001   10.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661   10.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680   12.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001   13.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4685    5.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    5.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    5.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    5.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8971   10.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030   12.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    9.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7030   10.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0212    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6412    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0212    5.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6412    6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   12.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661   14.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  1  0  0  0  0
  3 27  1  0  0  0  0
  4 16  1  0  0  0  0
  4 28  1  0  0  0  0
  5 19  1  0  0  0  0
  5 57  1  0  0  0  0
  6 20  1  0  0  0  0
  6 58  1  0  0  0  0
  7 27  2  0  0  0  0
  8 28  2  0  0  0  0
  9 31  1  0  0  0  0
  9 69  1  0  0  0  0
 10 32  1  0  0  0  0
 10 70  1  0  0  0  0
 11 31  2  0  0  0  0
 12 32  2  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
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 16 43  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 51  1  0  0  0  0
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 21 23  2  0  0  0  0
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 22 24  2  0  0  0  0
 22 32  1  0  0  0  0
 23 25  1  0  0  0  0
 23 53  1  0  0  0  0
 24 26  1  0  0  0  0
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 26 56  1  0  0  0  0
 27 29  1  0  0  0  0
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 29 33  1  0  0  0  0
 29 35  2  0  0  0  0
 30 34  1  0  0  0  0
 30 36  2  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 62  1  0  0  0  0
 34 63  1  0  0  0  0
 34 64  1  0  0  0  0
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 36 68  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70626643

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
330

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADACgmAIyCIAABgCIAiDSCAACAAAkAAAIiAEACMgJNjKANRCCcQAkwAELuYfLyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate;phthalic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-2-propenoic acid 2-(2-hydroxyethoxy)ethyl ester;phthalic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate;phthalic acid

> <PUBCHEM_IUPAC_NAME>
2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate;phthalic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-hydroxyethyloxy)ethyl 2-methylprop-2-enoate;phthalic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methylacrylic acid 2-(2-hydroxyethoxy)ethyl ester;phthalic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H6O4.2C8H14O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-7(2)8(10)12-6-5-11-4-3-9/h1-4H,(H,9,10)(H,11,12);2*9H,1,3-6H2,2H3

> <PUBCHEM_IUPAC_INCHIKEY>
RFEWKJZQRXOKIU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
514.20502652

> <PUBCHEM_MOLECULAR_FORMULA>
C24H34O12

> <PUBCHEM_MOLECULAR_WEIGHT>
514.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C(=O)OCCOCCO.CC(=C)C(=O)OCCOCCO.C1=CC=C(C(=C1)C(=O)O)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)C(=O)OCCOCCO.CC(=C)C(=O)OCCOCCO.C1=CC=C(C(=C1)C(=O)O)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
186

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
514.20502652

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8

$$$$