12592
  -OEChem-04262402352D

 74 73  0     0  0  0  0  0  0999 V2000
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   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1244    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5885    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4545   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4579    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3239   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7287   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1899    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7190    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7880   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5851   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6086   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4555   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2286    0.2869    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 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  5  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  8  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  9  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
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 13 50  1  0  0  0  0
 14 16  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 17  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 18  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 19  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
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 19 62  1  0  0  0  0
 20 22  1  0  0  0  0
 20 63  1  0  0  0  0
 20 64  1  0  0  0  0
 21 23  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  1  0  0  0  0
 22 24  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 23 71  1  0  0  0  0
 24 72  1  0  0  0  0
 24 73  1  0  0  0  0
 24 74  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12592

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
174

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
21

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetracosane

> <PUBCHEM_IUPAC_CAS_NAME>
tetracosane

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetracosane

> <PUBCHEM_IUPAC_NAME>
tetracosane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetracosane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetracosane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
POOSGDOYLQNASK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
12.6

> <PUBCHEM_EXACT_MASS>
338.391251595

> <PUBCHEM_MOLECULAR_FORMULA>
C24H50

> <PUBCHEM_MOLECULAR_WEIGHT>
338.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.391251595

> <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>
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

$$$$