70634733
  -OEChem-05042403422D

 63 64  0     0  0  0  0  0  0999 V2000
    7.8301    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    1.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    2.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8301    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3301    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    2.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475   -0.7121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4378   -1.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225   -1.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9127   -0.7121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552    0.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3552   -0.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0201    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201    1.5611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6401    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6401    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5252    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    3.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101    2.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 23  1  0  0  0  0
  2 14  1  0  0  0  0
  2 24  1  0  0  0  0
  3 15  1  0  0  0  0
  3 26  1  0  0  0  0
  4 19  2  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7 26  2  0  0  0  0
  8 34  1  0  0  0  0
  8 63  1  0  0  0  0
  9 34  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
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 18 21  1  0  0  0  0
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 29 36  2  0  0  0  0
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 31 32  2  0  0  0  0
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 35 57  1  0  0  0  0
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 37 61  1  0  0  0  0
 37 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70634733

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
866

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
17

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADgSgmAIwCIAABgCIAqDSCAACAAAkAAAIiAEACMgIJjKANRCCcQAlwAEIuYfLzPCPgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-[3-prop-2-enoyloxy-1,1-bis(prop-2-enoyloxymethyl)propyl]benzoyl]benzoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-[1,4-bis(1-oxoprop-2-enoxy)-2-(1-oxoprop-2-enoxymethyl)butan-2-yl]phenyl]-oxomethyl]benzoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-[1,4-di(prop-2-enoyloxy)-2-(prop-2-enoyloxymethyl)butan-2-yl]benzoyl]benzoic acid

> <PUBCHEM_IUPAC_NAME>
2-[2-[1,4-di(prop-2-enoyloxy)-2-(prop-2-enoyloxymethyl)butan-2-yl]benzoyl]benzoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-[1,4-di(prop-2-enoyloxy)-2-(prop-2-enoyloxymethyl)butan-2-yl]phenyl]carbonylbenzoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-[3-acryloyloxy-1,1-bis(acryloyloxymethyl)propyl]benzoyl]benzoic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H26O9/c1-4-23(29)35-16-15-28(17-36-24(30)5-2,18-37-25(31)6-3)22-14-10-9-13-21(22)26(32)19-11-7-8-12-20(19)27(33)34/h4-14H,1-3,15-18H2,(H,33,34)

> <PUBCHEM_IUPAC_INCHIKEY>
VZGCDVIDQVFRIV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
506.15768240

> <PUBCHEM_MOLECULAR_FORMULA>
C28H26O9

> <PUBCHEM_MOLECULAR_WEIGHT>
506.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)OCCC(COC(=O)C=C)(COC(=O)C=C)C1=CC=CC=C1C(=O)C2=CC=CC=C2C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)OCCC(COC(=O)C=C)(COC(=O)C=C)C1=CC=CC=C1C(=O)C2=CC=CC=C2C(=O)O

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
506.15768240

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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>
12  16  8
12  17  8
16  18  8
17  20  8
18  21  8
20  21  8
22  25  8
22  27  8
25  30  8
27  31  8
30  32  8
31  32  8

$$$$