70632503
  -OEChem-05132417342D

 56 56  0     0  0  0  0  0  0999 V2000
    8.0622    6.0950    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    7.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4050    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
    2.8660   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -4.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -5.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    0.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -6.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -5.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -5.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -6.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -7.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -7.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    7.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3 55  1  0  0  0  0
  4 56  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 21  1  0  0  0  0
 19 51  1  0  0  0  0
 20 22  2  0  0  0  0
 20 52  1  0  0  0  0
 21 23  2  0  0  0  0
 21 53  1  0  0  0  0
 22 23  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70632503

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
253

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAIAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACCAADASAmAAyBoAAARCAAiBCAAACAAAgIAAIiAAGCIgIJiKAERKAMAAkwBEIiAeAwOAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-tridecylphenyl) dihydrogen phosphite

> <PUBCHEM_IUPAC_CAS_NAME>
(4-tridecylphenyl) dihydrogen phosphite

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4-tridecylphenyl) dihydrogen phosphite

> <PUBCHEM_IUPAC_NAME>
(4-tridecylphenyl) dihydrogen phosphite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-tridecylphenyl) dihydrogen phosphite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-tridecylphenyl) dihydrogen phosphite

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H33O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)22-23(20)21/h14-17,20-21H,2-13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
UKOAEJOBIYHGFW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
7.3

> <PUBCHEM_EXACT_MASS>
340.21673191

> <PUBCHEM_MOLECULAR_FORMULA>
C19H33O3P

> <PUBCHEM_MOLECULAR_WEIGHT>
340.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC1=CC=C(C=C1)OP(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC1=CC=C(C=C1)OP(O)O

> <PUBCHEM_CACTVS_TPSA>
49.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.21673191

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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

> <PUBCHEM_BONDANNOTATIONS>
17  19  8
17  20  8
19  21  8
20  22  8
21  23  8
22  23  8

$$$$