622545
  -OEChem-05122416122D

 43 45  0     0  0  0  0  0  0999 V2000
    6.3904   -1.5209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420    1.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2564   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3904    0.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564   -1.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1664    0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3743    1.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6304   -1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6304    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    2.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1744    1.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685    3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2194   -2.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0664   -2.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2933   -1.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564   -1.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8764   -1.0209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564   -0.4009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6997    0.1698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8338    1.8244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6376   -2.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    0.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459   -0.9632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7126    1.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784   -3.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4742   -2.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8885    3.0508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2661    3.6684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6485    3.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1086    1.8299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -2.5126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.3604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -3.5841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2 14  1  0  0  0  0
  2 40  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  2  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 18  2  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
622545

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgAACAAADESAmAAyBoAABgCAAiBCAAACCAAgIAAIiAAGCIgMJyKGMRqCeCClwBUIuAeA4PwOwAADCAAYAACAAAYQADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6,6,9-trimethyl-3-propyl-benzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
6,6,9-trimethyl-3-propyl-1-benzo[c][1]benzopyranol

> <PUBCHEM_IUPAC_NAME_MARKUP>
6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_NAME>
6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,6,9-trimethyl-3-propyl-benzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6,6,9-trimethyl-3-propyl-benzo[c]chromen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
SVTKBAIRFMXQQF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
282.161979940

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22O2

> <PUBCHEM_MOLECULAR_WEIGHT>
282.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.161979940

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
11  15  8
12  13  8
13  16  8
14  16  8
15  18  8
4  10  8
4  5  8
5  11  8
6  14  8
6  7  8
7  12  8

$$$$