20835957
  -OEChem-05082402492D

 38 38  0     0  0  0  0  0  0999 V2000
    5.5238    2.5359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.0092    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1116    0.0475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4490   -2.9679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    3.5359    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5238    2.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238    2.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.5059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3685   -2.8772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751   -1.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9944   -1.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2627   -1.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7918    1.5359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1581   -2.9332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338   -3.4160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238   -0.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6578    0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898    0.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5399   -1.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6578    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5238    1.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   -0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398   -1.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418   -2.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493   -0.4589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4170   -1.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1384   -1.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5059    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    6.3898    4.0359    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
    6.9268    1.3459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145   -0.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6442   -2.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2548    1.2259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7918    2.1559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274   -3.2537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460   -4.0359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5646   -3.0955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 24  1  0  0  0  0
  3 26  2  0  0  0  0
  4 27  2  0  0  0  0
 11 28  2  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 20  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 22  2  0  0  0  0
 18 26  1  0  0  0  0
 19 25  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  2  0  0  0  0
 23 32  1  0  0  0  0
 24 25  1  0  0  0  0
 25 33  1  0  0  0  0
M  CHG  4   5  -1   8  -1  29   1  30   1
M  END
> <PUBCHEM_COMPOUND_CID>
20835957

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
896

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccxzvABgAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAADxUAAAHgQYAAAADAiB2AAxwcNiAAKIAiVSUHDCAEAkAAIGqB0ARMiIIDKAlZGEIQhghSKIyYcYi8CemAACwAASAQAwAAWAACQCAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dilithium;6-amino-2-(hydrazinecarbonyl)-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
dilithium;6-amino-2-(hydrazinecarbonyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dilithium;6-amino-2-(hydrazinecarbonyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate

> <PUBCHEM_IUPAC_NAME>
dilithium;6-amino-2-(hydrazinecarbonyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dilithium;2-(aminocarbamoyl)-6-azanyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dilithium;6-amino-2-carbazoyl-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10N4O9S2.2Li/c14-10-5-1-4(27(21,22)23)2-6-9(5)7(3-8(10)28(24,25)26)12(19)17(11(6)18)13(20)16-15;;/h1-3H,14-15H2,(H,16,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
DLBFLQKQABVKGT-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
442.00527706

> <PUBCHEM_MOLECULAR_FORMULA>
C13H8Li2N4O9S2

> <PUBCHEM_MOLECULAR_WEIGHT>
442.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Li+].[Li+].C1=C(C=C2C3=C1C(=C(C=C3C(=O)N(C2=O)C(=O)NN)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Li+].[Li+].C1=C(C=C2C3=C1C(=C(C=C3C(=O)N(C2=O)C(=O)NN)S(=O)(=O)[O-])N)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
250

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
442.00527706

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
16  17  8
16  18  8
16  19  8
17  20  8
17  23  8
18  22  8
19  25  8
20  21  8
21  22  8
23  24  8
24  25  8

$$$$