11228610
  -OEChem-04262421422D

 45 47  0     1  0  0  0  0  0999 V2000
    5.9467    0.0000    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    3.8334    1.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    0.3420    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8128   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4467   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4467    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9467    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4244    0.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3497   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3497    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1367   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1367    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8267   -0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7567   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3497   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3497    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7567   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5438    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7567    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9467    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5667   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508    1.5389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 44  1  0  0  0  0
  3  8  2  0  0  0  0
  3 11  1  0  0  0  0
  4  9  2  0  0  0  0
  4 12  1  0  0  0  0
  5 10  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7 24  1  0  0  0  0
  7 26  1  0  0  0  0
  8 15  1  0  0  0  0
  8 27  1  0  0  0  0
  9 16  1  0  0  0  0
  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 10 29  1  0  0  0  0
 11 18  2  0  0  0  0
 11 30  1  0  0  0  0
 12 19  2  0  0  0  0
 12 31  1  0  0  0  0
 13 20  2  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 21  2  0  0  0  0
 15 35  1  0  0  0  0
 16 22  2  0  0  0  0
 16 36  1  0  0  0  0
 17 23  2  0  0  0  0
 17 37  1  0  0  0  0
 18 21  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  3  0  0  0  0
 25 45  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
11228610

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
438

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAIAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGggACAAACBSgkAIwAIAAAiDAGCBCAAgCAAAgAAAIiAAAAIgINCKAERCAIAAggAAImAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-hydroxy-1-methylene-but-3-ynyl)-triphenyl-phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
3-hydroxypent-1-en-4-yn-2-yl(triphenyl)phosphonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-hydroxypent-1-en-4-yn-2-yl(triphenyl)phosphanium

> <PUBCHEM_IUPAC_NAME>
3-hydroxypent-1-en-4-yn-2-yl(triphenyl)phosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-oxidanylpent-1-en-4-yn-2-yl(triphenyl)phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2-hydroxy-1-methylene-but-3-ynyl)-triphenyl-phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20OP/c1-3-23(24)19(2)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h1,4-18,23-24H,2H2/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
BAEZWOIDTBEPFT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
343.125177255

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20OP+

> <PUBCHEM_MOLECULAR_WEIGHT>
343.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=C(C(C#C)O)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=C(C(C#C)O)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.125177255

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  17  8
11  18  8
12  19  8
13  20  8
15  21  8
16  22  8
17  23  8
18  21  8
19  22  8
7  2  3
20  23  8
3  11  8
3  8  8
4  12  8
4  9  8
5  10  8
5  13  8
8  15  8
9  16  8

$$$$