Ketcher 07031710452D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
   19.3087   -8.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0408   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4428   -7.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1748   -9.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5767   -8.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3088   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7107   -7.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8447   -8.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9786   -7.5279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125   -8.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2465   -7.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3805   -8.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3806   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4428   -9.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466   -9.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5767   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1126   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8447   -9.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7107   -9.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9786   -9.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7107  -10.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9786  -10.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  7  5  1  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
 10  9  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 14  6  1  0     0  0
 15 13  1  0     0  0
 16 14  1  0     0  0
 17 15  1  0     0  0
 19 16  1  0     0  0
 19 18  1  0     0  0
 20 17  1  0     0  0
 20 18  1  0     0  0
 21 19  2  0     0  0
 22 20  2  0     0  0
M  END
> <ID>
CHEBI:134474

> <NAME>
6,8-icosanedione

> <DEFINITION>
A β-diketone that is icosane in which the methylene hydrogens at positions 6 and 8 have been replaced by oxo groups.

> <STAR>
3

> <SYNONYM>
eicosane-6,8-dione; 6,8-eicosanedione

> <IUPAC_NAME>
icosane-6,8-dione

> <FORMULA>
C20H38O2

> <MASS>
310.515

> <MONOISOTOPIC_MASS>
310.28718

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCC(CC(CCCCC)=O)=O

> <INCHI>
InChI=1S/C20H38O2/c1-3-5-7-8-9-10-11-12-13-15-17-20(22)18-19(21)16-14-6-4-2/h3-18H2,1-2H3

> <INCHIKEY>
RPQVHNSWIOVYEA-UHFFFAOYSA-N

$$$$