19014169
  -OEChem-04232405472D

 73 74  0     1  0  0  0  0  0999 V2000
   13.2583    9.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.7500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1603    5.6160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.1603    3.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4 25  1  0  0  0  0
  5 28  1  0  0  0  0
  8  9  1  0  0  0  0
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  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
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 13 15  1  0  0  0  0
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 19 21  1  0  0  0  0
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 21 63  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 64  1  0  0  0  0
 24 26  2  0  0  0  0
 24 65  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 29 34  1  0  0  0  0
 30 68  1  0  0  0  0
 31 33  1  0  0  0  0
 31 69  1  0  0  0  0
 32 33  2  0  0  0  0
 32 70  1  0  0  0  0
 33 71  1  0  0  0  0
 34 72  1  0  0  0  0
 34 73  1  0  0  0  0
M  CHG  1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
19014169

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
541

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAIAEAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgBAACABTASgmAIyBoAABRCAQiBCAIACCAAgIAAIiAAGCKgMJyKEMRqCOCClwBUIqBeA4LwOAAABCAAAAAAAAAIQAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[3-(bromomethyl)phenyl] (3-tetradecoxyphenyl) phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[3-(bromomethyl)phenyl] (3-tetradecoxyphenyl) phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-(bromomethyl)phenyl] (3-tetradecoxyphenyl) phosphate

> <PUBCHEM_IUPAC_NAME>
[3-(bromomethyl)phenyl] (3-tetradecoxyphenyl) phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3-(bromomethyl)phenyl] (3-tetradecoxyphenyl) phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[3-(bromomethyl)phenyl] (3-myristyloxyphenyl) phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H40BrO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-25-17-15-19-27(22-25)33-34(29,30)32-26-18-14-16-24(21-26)23-28/h14-19,21-22H,2-13,20,23H2,1H3,(H,29,30)/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SBEWFMOIJXCMGP-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3_AA>
9.7

> <PUBCHEM_EXACT_MASS>
553.17185

> <PUBCHEM_MOLECULAR_FORMULA>
C27H39BrO5P-

> <PUBCHEM_MOLECULAR_WEIGHT>
554.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)CBr

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)([O-])OC2=CC=CC(=C2)CBr

> <PUBCHEM_CACTVS_TPSA>
67.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
553.17185

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
28  30  8
28  31  8
29  30  8
29  32  8
31  33  8
32  33  8

$$$$