71571543
  -OEChem-05052415272D

 25 24  0     0  0  0  0  0  0999 V2000
    9.4651   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 20  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71571543

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
173

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAABgCAAAACAAAACAAAAAAIAAAAAAABEAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(E)-2-[(E)-2-[(Z)-2-hydroxyvinyloxy]vinyloxy]vinyloxy]ethanol

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(E)-2-[(E)-2-[(Z)-2-hydroxyethenoxy]ethenoxy]ethenoxy]ethanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(<I>E</I>)-2-[(<I>E</I>)-2-[(<I>Z</I>)-2-hydroxyethenoxy]ethenoxy]ethenoxy]ethanol

> <PUBCHEM_IUPAC_NAME>
2-[(E)-2-[(E)-2-[(Z)-2-hydroxyethenoxy]ethenoxy]ethenoxy]ethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(E)-2-[(E)-2-[(Z)-2-oxidanylethenoxy]ethenoxy]ethenoxy]ethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(E)-2-[(E)-2-[(Z)-2-hydroxyvinyloxy]vinyloxy]vinyloxy]ethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1,3,5-10H,2,4H2/b3-1-,7-5+,8-6+

> <PUBCHEM_IUPAC_INCHIKEY>
NQKWEPDOJOIIKF-KQQSPCLJSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
188.06847348

> <PUBCHEM_MOLECULAR_FORMULA>
C8H12O5

> <PUBCHEM_MOLECULAR_WEIGHT>
188.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(COC=COC=COC=CO)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CO/C=C/O/C=C/O/C=C\O)O

> <PUBCHEM_CACTVS_TPSA>
68.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
188.06847348

> <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>
3

> <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

$$$$