22294696
  -OEChem-05102418392D

 25 29  0     1  0  0  0  0  0999 V2000
    5.8243   -2.5321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8492   -0.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6897   -0.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924    2.5321    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3290    1.5495    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6185    1.8929    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0702    0.5836    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7279    1.0407    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0201    0.2771    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4691    0.0748    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2958    1.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0877    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3328   -1.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593   -1.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798    3.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6984    2.0475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778    2.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -0.0308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2778    1.3271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5121   -0.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0351   -0.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2907    1.8584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6814    1.3222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.1955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946   -2.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22294696

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAAEAAAAAAAAAAAAAAAAAaIAAAAkSIAABIkAAAAAAAAAGgIAAAAADRaggAIAAAAABACAACBCAAAAAAAgAAAACAAAAggABAIBIQACEAAFwAAIIAPA4PwOgAAAAAAAAAAAAAAAAAAAAYQADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
11-chloro-5,13-dioxapentacyclo[7.3.1.02,6.03,8.04,10]tridec-11-ene

> <PUBCHEM_IUPAC_CAS_NAME>
11-chloro-5,13-dioxapentacyclo[7.3.1.02,6.03,8.04,10]tridec-11-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
11-chloro-5,13-dioxapentacyclo[7.3.1.0<SUP>2,6</SUP>.0<SUP>3,8</SUP>.0<SUP>4,10</SUP>]tridec-11-ene

> <PUBCHEM_IUPAC_NAME>
11-chloro-5,13-dioxapentacyclo[7.3.1.02,6.03,8.04,10]tridec-11-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
11-chloranyl-5,13-dioxapentacyclo[7.3.1.02,6.03,8.04,10]tridec-11-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
11-chloro-5,13-dioxapentacyclo[7.3.1.02,6.03,8.04,10]tridec-11-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11ClO2/c12-4-2-6-9-5-1-3-7(9)11(14-5)8(4)10(3)13-6/h2-3,5-11H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
FYXKKIWWTBEEIM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
210.0447573

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11ClO2

> <PUBCHEM_MOLECULAR_WEIGHT>
210.65

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C3C4C1OC3C5C2OC4C=C5Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C3C4C1OC3C5C2OC4C=C5Cl

> <PUBCHEM_CACTVS_TPSA>
18.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
210.0447573

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
8

> <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  13  3
12  14  3
7  2  3
8  3  3
4  5  3
5  11  3
6  9  3
9  11  3

$$$$