8334
  -OEChem-05072415052D

 56 58  0     1  0  0  0  0  0999 V2000
    9.8622   -2.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1137    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7441    1.4676    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7282   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8461    0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6382   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6462    0.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7403    2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2282   -2.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282   -1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022   -2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -1.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -0.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320   -2.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -2.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2054    1.7745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6281    1.5203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2369    0.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8427   -0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2498    0.0066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2562    0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8598    1.5289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3603    2.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7379    3.0876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1203    2.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6912   -2.7776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5382   -3.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7651   -2.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282   -2.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3482   -1.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282   -0.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093   -2.7562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6604   -0.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9353   -2.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324   -2.5992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608   -1.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0637   -1.1557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033   -2.6089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003   -2.6059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5804    1.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287   -1.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317   -1.1624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -2.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683   -2.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -1.1043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.3345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -2.1806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 49  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8334

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
465

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACRAAAAGgAACAAADUSAmAAyBoAABgCAAiBCAAACCAAgIAAAiAAGCIgMJyKGMRqCeCClwBUIuAeA4PwOQAABCAAIAACAAAIQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_NAME>
3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H32O2/c1-5-6-7-8-9-16-13-19(23)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h13-15,23H,5-12H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
OORFXDSWECAQLI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
328.240230259

> <PUBCHEM_MOLECULAR_FORMULA>
C22H32O2

> <PUBCHEM_MOLECULAR_WEIGHT>
328.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCC1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCC1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.240230259

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  11  8
10  15  8
11  16  8
15  18  8
16  17  8
17  18  8
4  12  3

$$$$