Mrv0541 09231409482D          

 15 14  0  0  0  0            999 V2000
    5.9485  -12.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6630  -12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3773  -12.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917  -12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8062  -12.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5206  -12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2350  -12.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9493  -12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6638  -12.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3782  -12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0926  -12.5022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8071  -12.9148    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3946  -13.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2195  -12.2003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5215  -13.3272    0.0000 O   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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:83086

> <NAME>
decylsulfamic acid

> <DEFINITION>
A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a decyl group.

> <STAR>
3

> <IUPAC_NAME>
decylsulfamic acid

> <FORMULA>
C10H23NO3S

> <MASS>
237.36000

> <MONOISOTOPIC_MASS>
237.13986

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCNS(O)(=O)=O

> <INCHI>
InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h11H,2-10H2,1H3,(H,12,13,14)

> <INCHIKEY>
YTVRFBQKVFJIQD-UHFFFAOYSA-N

$$$$