65403
  -OEChem-04172421482D

 31 30  0     0  0  0  0  0  0999 V2000
    9.7942    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -0.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  2  0  0  0  0
  3 24  1  0  0  0  0
  4 11  2  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 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  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 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
151

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACACBgAICAABABAAgAAAgAAAAAAAAAAAAAAAwAAAAAAIAAAAAAAAEAAAAAAGAwCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dimethyl heptanediimidate

> <PUBCHEM_IUPAC_CAS_NAME>
heptanediimidic acid dimethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
dimethyl heptanediimidate

> <PUBCHEM_IUPAC_NAME>
dimethyl heptanediimidate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dimethyl heptanediimidate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
heptanediimidic acid dimethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H18N2O2/c1-12-8(10)6-4-3-5-7-9(11)13-2/h10-11H,3-7H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LRPQMNYCTSPGCX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
186.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C9H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
186.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(=N)CCCCCC(=N)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(=N)CCCCCC(=N)OC

> <PUBCHEM_CACTVS_TPSA>
66.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
186.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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

$$$$