89440
 OpenBabel05082101102D

 45 46  0  0  1  0  0  0  0  0999 V2000
    8.1301    0.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5791    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.3133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951   -1.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -2.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -2.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -2.2551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420   -2.4820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -1.6351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    2.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    2.3239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951    1.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690    1.4770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5420    2.3239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    2.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848   -1.7337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.6390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7979   -1.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   -0.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8783    1.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    2.5651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    1.9427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  2  0  0  0  0
 13 38  1  0  0  0  0
 14 16  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
89440

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
366

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGgAAAAAADwSAmAAyAIAAAACIAqBSAAACAAAkAAAAiAEAAMgIIDKAFRCAIQAggAAIiYcIiMCPwAACAAAQAACAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1,1,2,4,4,7-hexamethyltetralin-6-yl)ethanone

>  <PUBCHEM_IUPAC_CAS_NAME>
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone

>  <PUBCHEM_IUPAC_NAME>
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1,1,2,4,4,7-hexamethyltetralin-6-yl)ethanone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3

>  <PUBCHEM_IUPAC_INCHIKEY>
DNRJTBAOUJJKDY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
5.3

>  <PUBCHEM_EXACT_MASS>
258.198365

>  <PUBCHEM_MOLECULAR_FORMULA>
C18H26O

>  <PUBCHEM_MOLECULAR_WEIGHT>
258.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C

>  <PUBCHEM_CACTVS_TPSA>
17.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
258.198365

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
19

>  <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>
13  15  8
14  16  8
15  16  8
3  10  3
6  13  8
6  7  8
7  14  8

$$$$
