21660
  -OEChem-05142404022D

 40 42  0     1  0  0  0  0  0999 V2000
    4.7320   -1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    2.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3301   -0.9330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4641   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.4330    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0622    2.0670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8660   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0622    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.8130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671   -0.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535   -2.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2520   -3.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -1.5407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082   -0.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316   -3.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7287   -3.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082   -3.0156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8067   -2.3253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4384   -1.8714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6238    2.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -0.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -0.4581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9841    2.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5856    1.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -0.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1698    1.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6448    2.2790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 17  1  0  0  0  0
  2 14  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  4 16  1  0  0  0  0
  4 20  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  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 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  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
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21660

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
346

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAEiQAAAAAAAAwAAAAAAAAAAAAAAAAGgAAAAAADRSggAIACAAABAAIAACQCAAAAAAAAAAAAAEAAAABABIAAAACAAAFAAACAAHLyKCOgAAAAAAAAAAAAAAAACAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h9-12H,1-8H2

> <PUBCHEM_IUPAC_INCHIKEY>
XFUOBHWPTSIEOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
284.12598835

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20O6

> <PUBCHEM_MOLECULAR_WEIGHT>
284.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3

> <PUBCHEM_CACTVS_TPSA>
77.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.12598835

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
15  17  3
16  18  3
7  13  3
8  14  3

$$$$