Marvin  07260715442D          

 20 19  0  0  0  0            999 V2000
   -4.2868    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.1941    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.4303    0.6066    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
 16  5  1  0  0  0  0
  6 16  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 19 15  1  0  0  0  0
 19 17  2  0  0  0  0
 19 18  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:43275

> <NAME>
hexadecane-1-sulfonyl fluoride

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43273; CHEBI:32911

> <SYNONYM>
hexadecanesulfonyl fluoride; 1-HEXADECYLSULFONYL FLUORIDE; 1-hexadecanesulfonyl fluoride

> <IUPAC_NAME>
hexadecane-1-sulfonyl fluoride

> <FORMULA>
C16H33FO2S

> <MASS>
308.49642

> <MONOISOTOPIC_MASS>
308.21853

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCS(F)(=O)=O

> <INCHI>
InChI=1S/C16H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3

> <INCHIKEY>
QIVFMUVBIHIZAM-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4411921

> <CAS_REGISTRY_NUMBER>
86855-26-7

> <CHEMIDPLUS>
86855-26-7

> <DRUGBANK_ACCESSION>
DB02035

> <PDBECHEM_ACCESSION>
HSF

$$$$