19982370
  -OEChem-05102422562D

 71 72  0     0  0  0  0  0  0999 V2000
    4.2695    9.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336    7.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016   10.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    9.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016   11.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016   10.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016   10.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    8.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    8.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8676    7.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    7.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    7.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6216   11.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016   11.9800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   11.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016    9.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6216   10.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016   10.9800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016   10.9800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3816   10.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0016    9.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4045    9.1700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986    7.5500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0016    6.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    9.0500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7336    6.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    3.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4662    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 48  1  0  0  0  0
  2 11  1  0  0  0  0
  2 49  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 42  1  0  0  0  0
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 10 11  2  0  0  0  0
 10 45  1  0  0  0  0
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 13 47  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 14 22  1  0  0  0  0
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 18 28  1  0  0  0  0
 19 21  1  0  0  0  0
 19 29  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 25  2  0  0  0  0
 21 31  1  0  0  0  0
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 22 54  1  0  0  0  0
 23 27  2  0  0  0  0
 23 55  1  0  0  0  0
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 25 27  1  0  0  0  0
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 27 59  1  0  0  0  0
 28 32  2  0  0  0  0
 28 60  1  0  0  0  0
 29 33  2  0  0  0  0
 29 61  1  0  0  0  0
 30 34  2  0  0  0  0
 30 62  1  0  0  0  0
 31 35  2  0  0  0  0
 31 63  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
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 35 70  1  0  0  0  0
 35 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
19982370

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
521

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgAACAAADgSgmAIyBoAABgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCMRqCcAAkwBEIuAfAwPAPgQADAAAYAAACAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-tert-butylbenzene-1,4-diol;1-[(2,3-divinylphenyl)methoxymethyl]-2,3-divinyl-benzene

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[2,3-bis(ethenyl)phenyl]methoxymethyl]-2,3-bis(ethenyl)benzene;2-tert-butylbenzene-1,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[[2,3-bis(ethenyl)phenyl]methoxymethyl]-2,3-bis(ethenyl)benzene;2-<I>tert</I>-butylbenzene-1,4-diol

> <PUBCHEM_IUPAC_NAME>
1-[[2,3-bis(ethenyl)phenyl]methoxymethyl]-2,3-bis(ethenyl)benzene;2-tert-butylbenzene-1,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[[2,3-bis(ethenyl)phenyl]methoxymethyl]-2,3-bis(ethenyl)benzene;2-tert-butylbenzene-1,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-tert-butylhydroquinone;1-[(2,3-divinylbenzyl)oxymethyl]-2,3-divinyl-benzene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H22O.C10H14O2/c1-5-17-11-9-13-19(21(17)7-3)15-23-16-20-14-10-12-18(6-2)22(20)8-4;1-10(2,3)8-6-7(11)4-5-9(8)12/h5-14H,1-4,15-16H2;4-6,11-12H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZVPUHMFQJYWXPY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
468.26644501

> <PUBCHEM_MOLECULAR_FORMULA>
C32H36O3

> <PUBCHEM_MOLECULAR_WEIGHT>
468.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)C1=C(C=CC(=C1)O)O.C=CC1=CC=CC(=C1C=C)COCC2=C(C(=CC=C2)C=C)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)C1=C(C=CC(=C1)O)O.C=CC1=CC=CC(=C1C=C)COCC2=C(C(=CC=C2)C=C)C=C

> <PUBCHEM_CACTVS_TPSA>
49.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
468.26644501

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
11  13  8
12  13  8
14  18  8
14  22  8
15  19  8
15  23  8
18  20  8
19  21  8
20  24  8
21  25  8
22  26  8
23  27  8
24  26  8
25  27  8
5  10  8
5  9  8
9  12  8

$$$$