57694191
  -OEChem-04252403432D

 57 56  0     0  0  0  0  0  0999 V2000
    2.8660   -0.9050    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210   -0.3799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8985    0.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1254    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2785    1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2150    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 20  2  0  0  0  0
  1 56  1  0  0  0  0
  2 20  1  0  0  0  0
  2 57  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 17  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 18  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 19  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 20  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
57694191

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
196

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-hydroxyoctadecylideneoxonium

> <PUBCHEM_IUPAC_CAS_NAME>
1-hydroxyoctadecylideneoxonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-hydroxyoctadecylideneoxidanium

> <PUBCHEM_IUPAC_NAME>
1-hydroxyoctadecylideneoxidanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-oxidanyloctadecylideneoxidanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-hydroxyoctadecylideneoxonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
QIQXTHQIDYTFRH-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3>
7.4

> <PUBCHEM_EXACT_MASS>
285.279355419

> <PUBCHEM_MOLECULAR_FORMULA>
C18H37O2+

> <PUBCHEM_MOLECULAR_WEIGHT>
285.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCC(=[OH+])O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCC(=[OH+])O

> <PUBCHEM_CACTVS_TPSA>
21.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.279355419

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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

$$$$