Marvin  08281314522D          

 14 14  0  0  1  0            999 V2000
   20.4321   -9.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4321   -8.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6134  -10.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2811  -10.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0998   -9.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2811  -11.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1300  -12.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1300  -13.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9487  -11.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9487  -14.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7977  -12.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7977  -13.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2811  -14.2138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6467  -14.2138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 13  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
> <ID>
CHEBI:75374

> <NAME>
(S)-dichlorprop

> <DEFINITION>
The S- (inactive) enantiomer of dichlorprop.

> <STAR>
3

> <SYNONYM>
(S)-DCPP; (S)-2-(2,4-dichlorophenoxy)propionic acid; (S)-2-(2,4-dichlorophenoxy)propanoic acid; (S)-(-)-dichlorprop; (S)-(-)-2-(2,4-dichlorophenoxy)propionic acid; (2S)-2-(2,4-dichlorophenoxy)propionic acid; (2S)-(-)-2-(2,4-dichlorophenoxy)propionic acid; (2S)-(-)-2-(2,4-dichlorophenoxy)propanoic acid; (-)-dichlorprop; (-)-2-(2,4-dichlorophenoxy)propionic acid; (-)-2-(2,4-dichlorophenoxy)propanoic acid

> <IUPAC_NAME>
(2S)-2-(2,4-dichlorophenoxy)propanoic acid

> <FORMULA>
C9H8Cl2O3

> <MASS>
235.06400

> <MONOISOTOPIC_MASS>
233.98505

> <CHARGE>
0

> <SMILES>
C[C@H](Oc1ccc(Cl)cc1Cl)C(O)=O

> <INCHI>
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)/t5-/m0/s1

> <INCHIKEY>
MZHCENGPTKEIGP-YFKPBYRVSA-N

> <CAS_REGISTRY_NUMBER>
15165-69-2

> <REAXYS_REGISTRY_NUMBER>
3203102

> <CHEMIDPLUS>
15165-69-2

> <PUBMED_CITATION>
23312320; 23509020

$$$$