Mrv0541 09231412162D          

 15 14  0  0  0  0            999 V2000
    7.2992  -12.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137  -13.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7281  -12.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426  -13.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1571  -12.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8716  -13.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5860  -12.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3005  -13.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0149  -12.6453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5847  -13.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992  -11.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7294  -13.0578    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3169  -13.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1419  -12.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4438  -13.4703    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
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  9 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
M  END
> <ID>
CHEBI:83095

> <NAME>
(8-methylnonyl)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A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (8-methylnonyl) group.

> <STAR>
3

> <IUPAC_NAME>
(8-methylnonyl)sulfamic acid

> <FORMULA>
C10H23NO3S

> <MASS>
237.36000

> <MONOISOTOPIC_MASS>
237.13986

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H23NO3S/c1-10(2)8-6-4-3-5-7-9-11-15(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)

> <INCHIKEY>
CKFWXMQZVRQAGT-UHFFFAOYSA-N

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