362065
  -OEChem-05261300572D

 43 47  0     1  0  0  0  0  0999 V2000
    4.3100   -1.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264   -0.3311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    1.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988   -1.3421    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0892   -2.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2935   -1.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543   -2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6986   -2.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7325   -2.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8941   -0.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049   -0.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6419    1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5080    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3527   -1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9307   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1271   -3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    2.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7239    2.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4998   -2.1272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -2.8858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5890   -3.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4143   -3.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    0.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109   -0.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9689   -1.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2940    0.0114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109    1.4398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574   -3.4436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3717   -3.7687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6968   -2.9544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0645    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    2.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6284    3.8190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038    2.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    1.9203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    1.0761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 21  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 12 18  1  0  0  0  0
 12 30  1  0  0  0  0
 14 19  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
362065

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
545

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAaIAAAAwYMAAAAAAAGjBVAAAGgAAAAAADESAmAIyDsAABACIAiDSCAACCAAkIAAIiAEGCMgMJjKENRqCMSAkwBEIqQfK6PyOwAADAAAYAACAAAYAADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-methoxy-4'-methyl-spiro[benzo[g]isobenzofuran-3,1'-indane]-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
9'-methoxy-7-methyl-1'-spiro[1,2-dihydroindene-3,3'-benzo[g]isobenzofuran]one

> <PUBCHEM_IUPAC_NAME>
9'-methoxy-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9'-methoxy-7-methyl-spiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-methoxy-4'-methyl-spiro[benz[g]isobenzofuran-3,1'-indane]-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H18O3/c1-13-5-3-7-16-15(13)11-12-22(16)17-10-9-14-6-4-8-18(24-2)19(14)20(17)21(23)25-22/h3-10H,11-12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
PNRYXVWKRFIQCX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
330.125594

> <PUBCHEM_MOLECULAR_FORMULA>
C22H18O3

> <PUBCHEM_MOLECULAR_WEIGHT>
330.37652

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC2=C1CCC23C4=C(C5=C(C=CC=C5OC)C=C4)C(=O)O3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC2=C1CCC23C4=C(C5=C(C=CC=C5OC)C=C4)C(=O)O3

> <PUBCHEM_CACTVS_TPSA>
35.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.125594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  15  8
11  17  8
12  18  8
14  19  8
15  16  8
15  21  8
16  19  8
16  22  8
17  18  8
21  23  8
22  24  8
23  24  8
4  5  3
6  12  8
6  9  8
8  10  8
8  14  8
9  11  8

$$$$