32241
  -OEChem-04182401172D

 36 37  0     0  0  0  0  0  0999 V2000
    8.1282    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6639    1.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509   -1.6667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6882   -0.0227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    0.2075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041    1.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7443    2.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1220    2.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5044    2.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
32241

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
192

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGAAAAAAADQCAGAAyAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6-diisopropylnaphthalene

> <PUBCHEM_IUPAC_CAS_NAME>
2,6-di(propan-2-yl)naphthalene

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,6-di(propan-2-yl)naphthalene

> <PUBCHEM_IUPAC_NAME>
2,6-di(propan-2-yl)naphthalene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6-di(propan-2-yl)naphthalene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6-diisopropylnaphthalene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
GWLLTEXUIOFAFE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.8

> <PUBCHEM_EXACT_MASS>
212.156500638

> <PUBCHEM_MOLECULAR_FORMULA>
C16H20

> <PUBCHEM_MOLECULAR_WEIGHT>
212.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.156500638

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  12  8
3  7  8
3  9  8
4  10  8
4  8  8
5  12  8
5  6  8
5  7  8
6  11  8
6  8  8
9  11  8

$$$$