70638364
  -OEChem-04242411352D

 28 27  0     0  0  0  0  0  0999 V2000
    0.0000    3.5945    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6929    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7681    3.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5614    6.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    3.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0255    5.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0255    6.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9195    4.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    6.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    4.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9195    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2935    6.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2935    5.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8255    5.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8255    6.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9079    3.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274    6.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    7.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595    4.0751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9123    7.3498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7565    4.8851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3613    4.8623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3613    6.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7609    2.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0245    6.5051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    3.5945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6929    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 17  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  1  0  0  0  0
  4 26  1  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 17  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 14  2  0  0  0  0
 11 20  1  0  0  0  0
 12 16  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70638364

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
299

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADACAmAAwCMAAAgCIAiDSCAACAAAkAAAIiAEACMgIJjKAFRCAcQAkwAEImYeIyPCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
naphthalene-1,6-dicarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
naphthalene-1,6-dicarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
naphthalene-1,6-dicarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
naphthalene-1,6-dicarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
naphthalene-1,6-dicarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
naphthalene-1,6-dicarboxylic acid;dihydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8O4.2ClH/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)12(15)16;;/h1-6H,(H,13,14)(H,15,16);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
JYCOIGZVTNHGIO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
287.9956142

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10Cl2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
289.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)C(=O)O.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=CC(=C2)C(=O)O)C(=C1)C(=O)O.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
74.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
287.9956142

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
11  14  8
12  16  8
13  14  8
15  16  8
7  11  8
7  8  8
7  9  8
8  10  8
8  12  8
9  15  8

$$$$