70596489
  -OEChem-04262416252D

 34 35  0     0  0  0  0  0  0999 V2000
    2.9747    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6087    3.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3408    3.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4747    4.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9747    6.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    6.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    5.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757    5.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    6.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982    6.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    4.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283    4.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3608    6.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5887    6.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4747    3.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8235    4.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1259    4.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    5.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3578    5.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997    4.3422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1127    7.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    7.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5334    7.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    7.4671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662    3.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833    3.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    7.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197    7.0092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3707    4.2617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5788    4.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9495    5.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6087    2.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9748    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 15  1  0  0  0  0
  2 33  1  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 16  1  0  0  0  0
 11 25  1  0  0  0  0
 12 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 19  1  0  0  0  0
 14 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70596489

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
288

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4MAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABgAAAAABQAAAGgAACAAADQCAmAAwCIAAAgCIAiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyOCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenecarboxylic acid;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
tricyclo[9.4.0.0<SUP>3,8</SUP>]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid;hydrochloride

> <PUBCHEM_IUPAC_NAME>
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14O2.ClH/c17-16(18)15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;/h1-8,15H,9-10H2,(H,17,18);1H

> <PUBCHEM_IUPAC_INCHIKEY>
FRNJQCPCBXHZNQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
274.0760574

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15ClO2

> <PUBCHEM_MOLECULAR_WEIGHT>
274.74

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(=O)O.Cl

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.0760574

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  16  8
12  17  8
13  18  8
14  19  8
16  18  8
17  19  8
7  11  8
7  9  8
8  10  8
8  12  8
9  13  8

$$$$