21183
  -OEChem-05062420592D

 34 37  0     0  0  0  0  0  0999 V2000
    6.5404    1.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565    1.7640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246    0.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4859   -0.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0166    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0192   -0.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681   -1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7623   -1.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8602   -2.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5544   -2.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6033   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1600    1.3614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856    2.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520   -1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2706   -2.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0152   -2.9057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4744   -3.4063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 25  1  0  0  0  0
  2  8  1  0  0  0  0
  2 26  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 27  1  0  0  0  0
 18 22  1  0  0  0  0
 18 28  1  0  0  0  0
 19 23  1  0  0  0  0
 19 29  1  0  0  0  0
 20 24  1  0  0  0  0
 20 30  1  0  0  0  0
 21 22  2  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
 23 24  2  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21183

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
546

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAAYMAAAAwYAAAAAAAAGABQAAAGgAACAAADESAmAAwAIAAAgCIAqBSAAICAAAkAAAIiAFAAMgJIDaIFRCAYQAk4AEJiYeJzPDOgAAAAAAQAAAAAAAAACAAAYAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxy-2-(2-hydroxy-1,3-dioxo-indan-2-yl)indane-1,3-dione

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxy-2-(2-hydroxy-1,3-dioxo-2-indenyl)indene-1,3-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione

> <PUBCHEM_IUPAC_NAME>
2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-oxidanyl-2-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]indene-1,3-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxy-2-(2-hydroxy-1,3-diketo-indan-2-yl)indane-1,3-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H

> <PUBCHEM_IUPAC_INCHIKEY>
LWFPYLZOVOCBPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
322.04773803

> <PUBCHEM_MOLECULAR_FORMULA>
C18H10O6

> <PUBCHEM_MOLECULAR_WEIGHT>
322.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.04773803

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
13  17  8
14  18  8
15  16  8
15  19  8
16  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  22  8
23  24  8

$$$$