18461856
  -OEChem-04192418182D

 43 45  0     1  0  0  0  0  0999 V2000
    8.8301    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1962    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -0.1160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641   -0.6160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1962   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3301    1.6160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0000   -0.6160    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3301    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1962    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -0.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082   -0.0334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535   -1.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2520   -2.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082   -2.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -1.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316   -2.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7287   -2.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5201    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2932    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    1.0172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -1.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4378    2.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7475    1.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    0.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675    0.3589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8067    2.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9841    2.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -0.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18461856

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
422

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAEiQAAAAAAAAwAAAAAAAAAAAAAAAAGgAAAAAADxSggAICCAAABAAIAACQCAAAAAAAAAAAAAEAAAABABIAAAACAAAFAAACAAHLyOCPgAAAAAAAAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(oxiran-2-ylmethyl) 1-methylcyclohexane-1,2-dicarboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
1-methylcyclohexane-1,2-dicarboxylic acid bis(2-oxiranylmethyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(oxiran-2-ylmethyl) 1-methylcyclohexane-1,2-dicarboxylate

> <PUBCHEM_IUPAC_NAME>
bis(oxiran-2-ylmethyl) 1-methylcyclohexane-1,2-dicarboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(oxiran-2-ylmethyl) 1-methylcyclohexane-1,2-dicarboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methylcyclohexane-1,2-dicarboxylic acid diglycidyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H22O6/c1-15(14(17)21-9-11-7-19-11)5-3-2-4-12(15)13(16)20-8-10-6-18-10/h10-12H,2-9H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
IUWACFOHPXRRGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
298.14163842

> <PUBCHEM_MOLECULAR_FORMULA>
C15H22O6

> <PUBCHEM_MOLECULAR_WEIGHT>
298.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCCC1C(=O)OCC2CO2)C(=O)OCC3CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCCC1C(=O)OCC2CO2)C(=O)OCC3CO3

> <PUBCHEM_CACTVS_TPSA>
77.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.14163842

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
16  18  3
17  19  3
7  13  3
8  15  3

$$$$