382726
  -OEChem-05181308332D

 39 43  0     0  0  0  0  0  0999 V2000
    7.8999    2.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1205   -0.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092   -0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272   -1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4524    1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184    0.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -2.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4524    2.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1844    1.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184    2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1844    2.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -3.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -2.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5276    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5163    3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9214    2.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3499    0.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789    0.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1083   -1.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7257   -0.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1259    0.0166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -0.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8916   -1.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641   -1.1024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    2.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7214    0.7660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747   -1.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406   -3.4269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285    4.1678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9111    3.6138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1059    3.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3876    4.2573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045   -4.2708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -3.4380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  8  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 33  1  0  0  0  0
 16 21  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
382726

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAYMGAAAwYAAAAAAAAGABQAAAGgAAAAAADgSAmAAwAIAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCPwAACAAAQAACAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
spiro[2,3,5,7-tetrahydro-s-indacene-6,2'-indane]-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1'-spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]one

> <PUBCHEM_IUPAC_NAME>
spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
spiro[2,3,5,7-tetrahydro-s-indacene-6,2'-indane]-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18O/c21-19-6-5-13-7-16-11-20(12-17(16)8-18(13)19)9-14-3-1-2-4-15(14)10-20/h1-4,7-8H,5-6,9-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
ISLTYRHFOQTLHD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
274.135765

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18O

> <PUBCHEM_MOLECULAR_WEIGHT>
274.35632

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)C2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C21

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)C2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C21

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.135765

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
39

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  13  8
12  14  8
13  14  8
15  20  8
16  21  8
20  21  8
7  11  8
7  8  8
8  12  8
9  10  8
9  16  8

$$$$