13118
  -OEChem-04242416222D

 38 39  0     0  0  0  0  0  0999 V2000
    9.3244    0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897   -1.2262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276    1.7548    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1590   -3.8680    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.2924    0.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0844    1.0857    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.8899    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1270    2.1149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1759    1.8059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817    2.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    3.4532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5154    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -0.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5643    1.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8244    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -1.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8701    1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8212    1.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1334    1.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8244    2.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6724   -2.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4354    0.4792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504    0.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4599    2.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.4978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229    0.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888    2.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245   -2.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210    2.5809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1799    3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2303    3.6448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 26  2  0  0  0  0
 11 26  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 26  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  2  3  0  0  0
 15 27  1  0  0  0  0
 16 21  2  3  0  0  0
 16 28  1  0  0  0  0
 17 24  1  0  0  0  0
 17 29  1  0  0  0  0
 18 25  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 33  1  0  0  0  0
 25 34  1  0  0  0  0
M  CHG  4   3  -1   4  -1   7   1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
13118

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
601

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgAcAAAACAyBkAAxhIBQRECpAaFycwCCCAAsIgAoiAEWbNoMJjKEtZuKGSDkwBEI6Ya8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[1,5-bis(5-nitro-2-furanyl)penta-1,4-dien-3-ylideneamino]guanidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine

> <PUBCHEM_IUPAC_NAME>
2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[1,5-bis(5-nitrofuran-2-yl)penta-1,4-dien-3-ylideneamino]guanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]prop-2-enylidene]amino]guanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12N6O6/c15-14(16)18-17-9(1-3-10-5-7-12(25-10)19(21)22)2-4-11-6-8-13(26-11)20(23)24/h1-8H,(H4,15,16,18)

> <PUBCHEM_IUPAC_INCHIKEY>
XQCFHQBGMWUEMY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
360.08183212

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12N6O6

> <PUBCHEM_MOLECULAR_WEIGHT>
360.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(OC(=C1)[N+](=O)[O-])C=CC(=NN=C(N)N)C=CC2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
195

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
360.08183212

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
2

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  22  8
13  17  8
14  18  8
15  20  1
16  21  1
17  24  8
18  25  8
2  14  8
2  23  8
22  24  8
23  25  8

$$$$