-OEChem-07221113212D

 12 10  0     0  0  0  0  0  0999 V2000
    6.6546   -6.5679    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8184   -6.5679    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    8.2762   -6.5449    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0657   -7.2800    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2435   -5.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -6.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9469   -6.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5261   -6.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2365   -6.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3515   -7.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399   -5.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1738   -6.0350    0.0000 C   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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
M  CHG  2   3   1   4  -1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24850773

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
178837_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
178837_ALDRICH
2,2-Dimethyl-2-silapentane-5-sulfonate sodium salt
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
DSS sodium salt
Sodium 3-(trimethylsilyl)-1-propanesulfonate

> <PUBCHEM_XREF_EXT_ID>
178837_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/178837?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
5167273  1
74873  2
5360545  2

> <PUBCHEM_COORDINATE_TYPE>
1
3

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