Mrv0541 09231412272D          

 14 13  0  0  0  0            999 V2000
    6.9204  -11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6349  -12.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3494  -11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0639  -12.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7784  -11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4929  -12.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2073  -11.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9218  -12.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6363  -11.7890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6349  -13.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3508  -12.2015    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0653  -12.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9383  -12.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7632  -11.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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
  2  3  1  0  0  0  0
  5  6  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
> <ID>
CHEBI:83098

> <NAME>
(7-methyloctyl)sulfamic 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A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (7-methyloctyl) group.

> <STAR>
3

> <IUPAC_NAME>
(7-methyloctyl)sulfamic acid

> <FORMULA>
C9H21NO3S

> <MASS>
223.33300

> <MONOISOTOPIC_MASS>
223.12421

> <CHARGE>
0

> <SMILES>
CC(C)CCCCCCNS(O)(=O)=O

> <INCHI>
InChI=1S/C9H21NO3S/c1-9(2)7-5-3-4-6-8-10-14(11,12)13/h9-10H,3-8H2,1-2H3,(H,11,12,13)

> <INCHIKEY>
WRAOMSYSAAAQTR-UHFFFAOYSA-N

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