159360
  -OEChem-05302104212D

 31 32  0     0  0  0  0  0  0999 V2000
    6.0682   -1.9254    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.0682   -0.9254    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.3198    2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -2.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.6946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.6154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -3.0454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7865    2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -2.1154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3 12  1  0  0  0  0
  3 29  1  0  0  0  0
  4 14  1  0  0  0  0
  4 30  1  0  0  0  0
  5 20  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 20  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
159360

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAEAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACR9AAAGgAACAAADASAmAAwBsAABkCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuYeI7OzOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-hydroxyphenyl)chromenylium-5,7-diol;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-hydroxyphenyl)-1-benzopyrylium-5,7-diol;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-hydroxyphenyl)chromenylium-5,7-diol;chloride

> <PUBCHEM_IUPAC_NAME>
2-(4-hydroxyphenyl)chromenylium-5,7-diol;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-hydroxyphenyl)chromenylium-5,7-diol;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-hydroxyphenyl)-1-benzopyrylium-5,7-diol;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H10O4.ClH/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14;/h1-8H,(H2-,16,17,18);1H

> <PUBCHEM_IUPAC_INCHIKEY>
GYQDOAKHUGURPD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
290.0345865

> <PUBCHEM_MOLECULAR_FORMULA>
C15H11ClO4

> <PUBCHEM_MOLECULAR_WEIGHT>
290.70

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
61.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.0345865

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  11  8
12  15  8
13  14  8
14  15  8
16  18  8
17  19  8
18  20  8
19  20  8
2  7  8
2  8  8
6  10  8
6  12  8
6  7  8
7  13  8
8  11  8
9  16  8
9  17  8

$$$$
