Ketcher 05202216272D 1   1.00000     0.00000     0

 17 16  0     0  0            999 V2000
   17.1196   -8.8392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9858   -7.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9235   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0574   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7895   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1914   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6555   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3254   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5215   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3876   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5934   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2536   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7274   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9858   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8518   -8.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7178   -8.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0     0  0
  1 15  1  0     0  0
  2 15  2  0     0  0
  3  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  7  1  0     0  0
  6  8  1  0     0  0
  7  9  1  0     0  0
  8 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
M  END
> <ID>
CHEBI:191951

> <NAME>
lauryl acrylate

> <DEFINITION>
An acrylate ester obtained by the formal condensation of the hydroxy group of dodecan-1-ol with the carboxy group of acrylic acid.

> <STAR>
3

> <SYNONYM>
n-lauryl acrylate; n-dodecyl acrylate; dodecyl propenoate; dodecyl acrylate; acrylic acid, dodecyl ester; acrylic acid lauryl ester; acrylic acid dodecyl ester; 2-propenoic acid, dodecyl ester; 2-propenoic acid dodecyl ester

> <IUPAC_NAME>
dodecyl prop-2-enoate

> <FORMULA>
C15H28O2

> <MASS>
240.387

> <MONOISOTOPIC_MASS>
240.20893

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCOC(=O)C=C

> <INCHI>
InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h4H,2-3,5-14H2,1H3

> <INCHIKEY>
PBOSTUDLECTMNL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2156-97-0

> <REAXYS_REGISTRY_NUMBER>
1779069

> <CHEMIDPLUS>
2156-97-0

> <NIST_CHEMISTRY_WEBBOOK>
2156-97-0

> <PUBMED_CITATION>
16007995; 16852454; 17428072; 17805931; 18980349; 19170057; 20358539; 31392731; 31591363; 31625266; 34038623; 35184294

$$$$