Ketcher 04221615412D 1   1.00000     0.00000     0

 15 13  0     0  0            999 V2000
    7.7632   -3.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7632   -4.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971   -3.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8971   -5.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -3.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310   -4.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953   -3.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953   -4.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293   -3.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6293   -5.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3672   -3.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2265   -3.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3805   -2.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3615   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2539   -3.2050    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  9  7  1  0     0  0
 10  8  1  0     0  0
  1  9  1  0     0  0
  2 10  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
  8 14  1  0     0  0
M  CHG  2  12  -1  15   1
M  END
> <ID>
CHEBI:131839

> <NAME>
sodium dodecanoate

> <DEFINITION>
An organic sodium salt resulting from the replacement of the proton from the carboxy group of dodecanoic acid by a sodium ion.

> <STAR>
3

> <SYNONYM>
sodium laurate; Lauric acid, sodium salt; Dodecanoic acid, sodium salt

> <IUPAC_NAME>
sodium dodecanoate

> <FORMULA>
C12H23NaO2

> <MASS>
222.300

> <MONOISOTOPIC_MASS>
222.15957

> <CHARGE>
0

> <SMILES>
C(CCCCCCCC)CCC([O-])=O.[Na+]

> <INCHI>
InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1

> <INCHIKEY>
BTURAGWYSMTVOW-UHFFFAOYSA-M

> <CAS_REGISTRY_NUMBER>
629-25-4

> <REAXYS_REGISTRY_NUMBER>
3574124

> <CHEMIDPLUS>
629-25-4

> <WIKIPEDIA_ACCESSION>
Sodium_laurate

> <PUBMED_CITATION>
24903603; 25037371; 25761664; 25898084; 25934290; 26270828; 26365517; 26794738; 26873826; 26924290; 26989345

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