5167273
  -OEChem-07221113212D

 27 25  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0062    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1592   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3862   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  CHG  2   3   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
5167273

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
202

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMChAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGBQAAAAACACEYADCAAAAAAMAAAAAAHBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium 3-trimethylsilylpropane-1-sulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium 3-trimethylsilyl-1-propanesulfonate

> <PUBCHEM_IUPAC_NAME>
sodium 3-trimethylsilylpropane-1-sulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium 3-trimethylsilylpropane-1-sulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium 3-trimethylsilylpropane-1-sulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HWEXKRHYVOGVDA-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
218.040886

> <PUBCHEM_MOLECULAR_FORMULA>
C6H15NaO3SSi

> <PUBCHEM_MOLECULAR_WEIGHT>
218.32177

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[Si](C)(C)CCCS(=O)(=O)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
65.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.040886

> <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_NONSTANDARDBOND>
3  4  7

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$