65099
  -OEChem-05012417512D

 60 63  0     0  0  0  0  0  0999 V2000
    6.1084    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.9744    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6403    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    5.1403    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8405    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744    5.1606    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9744   10.1606    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9744    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8660    6.1403    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9744    7.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744    8.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    6.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    8.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084    6.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084    8.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    9.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084    5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1084    9.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7344    7.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7344    8.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    7.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    8.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7344    5.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7344   10.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145    5.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2145   10.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744    4.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744   11.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6405    6.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6405    8.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3084    6.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3084    8.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6405    5.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6405    9.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3084    5.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3084    9.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7272    7.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7272    7.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    7.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    7.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7272    4.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7272   10.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216    4.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216   10.8152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    4.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744    3.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944    4.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5944   11.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9744   11.7806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544   11.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    6.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    8.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    6.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    8.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    5.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1762    9.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    5.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    9.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 10  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 17  2  0  0  0  0
  7 19  1  0  0  0  0
  7 29  1  0  0  0  0
  8 18  2  0  0  0  0
  8 20  1  0  0  0  0
  8 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 15 23  2  0  0  0  0
 16 20  1  0  0  0  0
 16 24  2  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  2  0  0  0  0
 20 28  2  0  0  0  0
 21 31  2  0  0  0  0
 21 39  1  0  0  0  0
 22 32  2  0  0  0  0
 22 40  1  0  0  0  0
 23 33  1  0  0  0  0
 23 41  1  0  0  0  0
 24 34  1  0  0  0  0
 24 42  1  0  0  0  0
 25 35  2  0  0  0  0
 25 43  1  0  0  0  0
 26 36  2  0  0  0  0
 26 44  1  0  0  0  0
 27 37  1  0  0  0  0
 27 45  1  0  0  0  0
 28 38  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 35  1  0  0  0  0
 31 53  1  0  0  0  0
 32 36  1  0  0  0  0
 32 54  1  0  0  0  0
 33 37  2  0  0  0  0
 33 55  1  0  0  0  0
 34 38  2  0  0  0  0
 34 56  1  0  0  0  0
 35 57  1  0  0  0  0
 36 58  1  0  0  0  0
 37 59  1  0  0  0  0
 38 60  1  0  0  0  0
M  CHG  8   1  -1   2  -1   3  -1   4  -1   7   1   8   1   9   1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
65099

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
522

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eMGCAAAAAACx/gAAHAAEAAAADAiBHgQywPMMUAChAyRiRQCCgCAhAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate

> <PUBCHEM_IUPAC_CAS_NAME>
10-methyl-9-(10-methyl-9-acridin-10-iumyl)acridin-10-ium;dinitrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate

> <PUBCHEM_IUPAC_NAME>
10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-methyl-9-(10-methylacridin-10-ium-9-yl)acridin-10-ium;dinitrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H22N2.2NO3/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3)4/h3-18H,1-2H3;;/q+2;2*-1

> <PUBCHEM_IUPAC_INCHIKEY>
KNJDBYZZKAZQNG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
510.15393443

> <PUBCHEM_MOLECULAR_FORMULA>
C28H22N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
510.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
510.15393443

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
11  13  8
11  15  8
12  14  8
12  16  8
13  17  8
13  21  8
14  18  8
14  22  8
15  19  8
15  23  8
16  20  8
16  24  8
17  25  8
18  26  8
19  27  8
20  28  8
21  31  8
22  32  8
23  33  8
24  34  8
25  35  8
26  36  8
27  37  8
28  38  8
31  35  8
32  36  8
33  37  8
34  38  8
7  17  8
7  19  8
8  18  8
8  20  8

$$$$