11425923
  -OEChem-09272320522D

 35 38  0     1  0  0  0  0  0999 V2000
    7.4714   -0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    2.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9271    1.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4714    1.6038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5251    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    0.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591   -0.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    0.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6591    1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831   -0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    2.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7931    1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -1.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7771   -1.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396   -1.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -0.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0838    1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    0.3844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158    1.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3713    2.3617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    3.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927    2.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2157   -1.5462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -2.3902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682    0.9762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   -2.8015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459   -3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635   -2.7967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  1  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11425923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
533

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4MAAAAAAAAAAAAAAAAAAAAQAAAAAwYIAAAAAAAEjBUAAAGgAAAAAADQSgmAIyAMAABACIAqBSAAACCAAkIAAIiAEACMgIJjKANRiCMQAkwAEIqQeKzPCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g]benzofuran-10,11-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g]benzofuran-10,11-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione

> <PUBCHEM_IUPAC_NAME>
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g]benzofuran-10,11-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HARGZZNYNSYSGJ-JTQLQIEISA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
278.094294304

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14O3

> <PUBCHEM_MOLECULAR_WEIGHT>
278.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C(C=CC=C43)C

> <PUBCHEM_CACTVS_TPSA>
43.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.094294304

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
12

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
11  18  8
14  16  8
14  17  8
15  16  8
17  19  8
18  20  8
19  20  8
4  12  5
8  15  8
8  9  8
9  11  8

$$$$