8751
  -OEChem-05211304152D

 24 23  0     0  0  0  0  0  0999 V2000
    4.8426    3.9749    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7087    5.4749    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.7087    4.4749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3426    4.8410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3426    3.1089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    3.4749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5135    2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    2.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4532    1.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    2.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0547    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4532    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4397    3.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
8751

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
187

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMCBAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAAQQAAACCjBAAQAAABAAAAAAAAAADAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;N-cyclohexylsulfamate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;N-cyclohexylsulfamate

> <PUBCHEM_IUPAC_NAME>
sodium;N-cyclohexylsulfamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;N-cyclohexylsulfamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;N-cyclohexylsulfamate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
UDIPTWFVPPPURJ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
201.043559

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12NNaO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
201.219149

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NS(=O)(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NS(=O)(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
77.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
201.043559

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$