Mrv0541 08281415122D          

 18 17  0  0  0  0            999 V2000
   17.0675  -10.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3531   -9.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6387  -10.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9242   -9.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2097  -10.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4953   -9.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7808  -10.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663   -9.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3520  -10.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3520  -10.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3532  -11.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6387  -10.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9243  -11.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2098  -10.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4953  -11.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7809  -10.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664  -11.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0677  -10.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
> <ID>
CHEBI:32926

> <NAME>
octadecane

> <DEFINITION>
A straight-chain alkane carrying 18 carbon atoms.

> <STAR>
3

> <SYNONYM>
Oktadekan; n-octadecane; CH3-[CH2]16-CH3

> <IUPAC_NAME>
octadecane

> <FORMULA>
C18H38

> <MASS>
254.49430

> <MONOISOTOPIC_MASS>
254.29735

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

> <INCHIKEY>
RZJRJXONCZWCBN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1740138

> <CAS_REGISTRY_NUMBER>
593-45-3

> <GMELIN_REGISTRY_NUMBER>
263389

> <REAXYS_REGISTRY_NUMBER>
1740138

> <CHEMIDPLUS>
593-45-3

> <KNAPSACK_ACCESSION>
C00030879

> <NIST_CHEMISTRY_WEBBOOK>
593-45-3

> <PUBMED_CITATION>
9842728

$$$$