445713
  -OEChem-05302104242D

 52 51  0     1  0  0  0  0  0999 V2000
   13.2583   -0.1415    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.9904   -0.1415    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7583    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7583   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4904    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4904   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0683    1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933   -0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1804    1.2615    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  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3 22  1  0  0  0  0
  5 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8 52  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 16  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  2  0  0  0  0
 18 37  1  0  0  0  0
 19 22  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
 20 41  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
445713

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
568

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAADACggAICAAAAARCAQiBCAIAAAAAgAAAACAAAAAgABAIAAQAAEAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
phosphono [(2<I>E</I>,6<I>E</I>)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

> <PUBCHEM_IUPAC_INCHIKEY>
VWFJDQUYCIWHTN-YFVJMOTDSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
382.13102722

> <PUBCHEM_MOLECULAR_FORMULA>
C15H28O7P2

> <PUBCHEM_MOLECULAR_WEIGHT>
382.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.13102722

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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

$$$$
