11360285
  -OEChem-05062409002D

 48 58  0     0  0  0  0  0  0999 V2000
    7.6039   -1.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670   -2.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7732    2.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    1.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0158   -2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0153   -2.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5781   -1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8299   -2.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040   -2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2409   -2.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7130    1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323    1.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    3.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    2.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    2.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -2.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6599    2.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9236    1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9904    0.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087   -2.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5115    2.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453    1.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2334    1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088   -1.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3700   -2.5968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1900   -2.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9061   -0.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244   -3.0709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   -2.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -3.1976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5531    0.4542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    0.8367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.7675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204    3.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2784    2.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288    2.6374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5565   -0.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -3.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334    3.1848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    1.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    0.2929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280   -2.6661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833    2.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    0.2369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 29  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 21  2  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 18 42  1  0  0  0  0
 19 23  2  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 44  1  0  0  0  0
 21 25  1  0  0  0  0
 21 45  1  0  0  0  0
 22 27  1  0  0  0  0
 22 46  1  0  0  0  0
 23 26  1  0  0  0  0
 23 47  1  0  0  0  0
 24 28  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  3  0  0  0  0
 27 28  3  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11360285

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
967

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4AAAAAAAAAAAAAAAAAABgwAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAADwCAAAAAAAAAAADAECBCAAAAAAAgAAAICAAAAAgAAAIAAAAAAAAAgAAIAAMAgMAPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z,6Z,16Z,20Z)-undecacyclo[22.4.0.01,26.08,11.08,13.09,14.010,15.012,15.022,25.022,27.023,28]octacosa-2,6,16,20-tetraen-4,18-diyne

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z,6Z,16Z,20Z)-undecacyclo[22.4.0.01,26.08,11.08,13.09,14.010,15.012,15.022,25.022,27.023,28]octacosa-2,6,16,20-tetraen-4,18-diyne

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>Z</I>,6<I>Z</I>,16<I>Z</I>,20<I>Z</I>)-undecacyclo[22.4.0.0<SUP>1,26</SUP>.0<SUP>8,11</SUP>.0<SUP>8,13</SUP>.0<SUP>9,14</SUP>.0<SUP>10,15</SUP>.0<SUP>12,15</SUP>.0<SUP>22,25</SUP>.0<SUP>22,27</SUP>.0<SUP>23,28</SUP>]octacosa-2,6,16,20-tetraen-4,18-diyne

> <PUBCHEM_IUPAC_NAME>
(2Z,6Z,16Z,20Z)-undecacyclo[22.4.0.01,26.08,11.08,13.09,14.010,15.012,15.022,25.022,27.023,28]octacosa-2,6,16,20-tetraen-4,18-diyne

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z,6Z,16Z,20Z)-undecacyclo[22.4.0.01,26.08,11.08,13.09,14.010,15.012,15.022,25.022,27.023,28]octacosa-2,6,16,20-tetraen-4,18-diyne

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z,6Z,16Z,20Z)-undecacyclo[22.4.0.01,26.08,11.08,13.09,14.010,15.012,15.022,25.022,27.023,28]octacosa-2,6,16,20-tetraen-4,18-diyne

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H20/c1-2-6-10-26-19-22-20(26)24-21(26)23(19)28(22,24)12-8-4-3-7-11-27-16-13-17(27)15-18(27)14(16)25(13,15)9-5-1/h5-24H/b9-5-,10-6-,11-7-,12-8-

> <PUBCHEM_IUPAC_INCHIKEY>
PZSQQFMZFDHUHE-XIMJPLDWSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
356.156500638

> <PUBCHEM_MOLECULAR_FORMULA>
C28H20

> <PUBCHEM_MOLECULAR_WEIGHT>
356.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC23C4C5C2C6C3C4C56C=CC#CC=CC78C9C2C7C3C8C9C23C=CC#C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C\1=C\C23C4C5C2C6C5(C4C36)/C=C\C#C/C=C\C78C9C2C7C3C2(C9C83)/C=C\C#C1

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.156500638

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <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

$$$$