6535
  -OEChem-05082423572D

 26 25  0     0  0  0  0  0  0999 V2000
    4.5981   -0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.4220    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
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6535

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
113

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAAAACggAICAAAAARAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
triethyl phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
phosphoric acid triethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
triethyl phosphate

> <PUBCHEM_IUPAC_NAME>
triethyl phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triethyl phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphoric acid triethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
DQWPFSLDHJDLRL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.8

> <PUBCHEM_EXACT_MASS>
182.07079595

> <PUBCHEM_MOLECULAR_FORMULA>
C6H15O4P

> <PUBCHEM_MOLECULAR_WEIGHT>
182.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=O)(OCC)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=O)(OCC)OCC

> <PUBCHEM_CACTVS_TPSA>
44.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.07079595

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$