Mrv0541 09231409392D          

 17 16  0  0  0  0            999 V2000
    7.3854  -14.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0999  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8144  -14.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5289  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3539  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0684  -14.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7828  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6078  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3223  -14.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6710  -14.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565  -14.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7513  -14.3932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4658  -14.8056    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0533  -15.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8783  -14.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1802  -15.2182    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
> <ID>
CHEBI:83085

> <NAME>
(3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic 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A member of the class of sulfamic acids that is sulfamic acid in which one of the amino hydrogens has been replaced by a (3Z,6Z)-dodeca-3,6-dien-1-yl group.

> <STAR>
3

> <IUPAC_NAME>
(3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic acid

> <FORMULA>
C12H23NO3S

> <MASS>
261.38100

> <MONOISOTOPIC_MASS>
261.13986

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/CCNS(O)(=O)=O

> <INCHI>
InChI=1S/C12H23NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(14,15)16/h6-7,9-10,13H,2-5,8,11-12H2,1H3,(H,14,15,16)/b7-6-,10-9-

> <INCHIKEY>
DLEYFILNNFMARG-HZJYTTRNSA-N

$$$$