31315
  -OEChem-04232422102D

 39 42  0     0  0  0  0  0  0999 V2000
    6.2619   -1.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184    1.6661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8065    2.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    0.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011   -0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    1.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3855    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    0.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112    0.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2738    1.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1955    1.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    1.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1084    1.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744    1.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.8783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649   -1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613    1.0287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8195    1.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8815   -0.2843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7771   -0.1682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6032    2.4604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1318    2.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1235    1.1474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4844    1.4129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1869    2.8783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 23  1  0  0  0  0
  2 38  1  0  0  0  0
  3 24  1  0  0  0  0
  3 39  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 11 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 18  1  0  0  0  0
 12 27  1  0  0  0  0
 13 19  1  0  0  0  0
 13 28  1  0  0  0  0
 14 20  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 24  2  0  0  0  0
 20 35  1  0  0  0  0
 21 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31315

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
442

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgBUAAAHgAQCAAADgyBmAAwxoLAAgCIAiVSUACCAAAhIgAIiAEGbIgIJjLClZOEcAhk1BHI2AecyPCPoAAAAAACAABAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3-bis(4-hydroxyphenyl)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,3-bis(4-hydroxyphenyl)-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3-bis(4-hydroxyphenyl)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
SJDACOMXKWHBOW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
317.10519334

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
317.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.10519334

> <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>
10  12  8
11  17  8
12  18  8
13  19  8
14  20  8
15  21  8
16  22  8
17  18  8
19  23  8
20  24  8
21  23  8
22  24  8
6  10  8
6  11  8
8  13  8
8  15  8
9  14  8
9  16  8

$$$$