CDK     1023151742

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.8580   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5561    0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3019   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    3.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    2.4752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  8  2  0  0  0  0 
 10  9  1  0  0  0  0 
 11  8  1  0  0  0  0 
 12  9  2  0  0  0  0 
 13 11  2  0  0  0  0 
 13 12  1  0  0  0  0 
 14 10  1  0  0  0  0 
 15  1  1  0  0  0  0 
 15  2  1  0  0  0  0 
 15  3  1  0  0  0  0 
 15 11  1  0  0  0  0 
 16  4  1  0  0  0  0 
 16  5  1  0  0  0  0 
 16  6  1  0  0  0  0 
 16 12  1  0  0  0  0 
 17 13  1  0  0  0  0 
 18 14  2  0  0  0  0 
 19  7  1  0  0  0  0 
 19 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:88829

> <NAME>
3,5-Bis(1,1-dimethylethyl)-4-hydroxy-benzoic acid ethyl ester

> <STAR>
2

> <SYNONYM>
methyl 3,5-di-tert-butyl-4-hydroxybenzoate

> <FORMULA>
C16H24O3

> <MASS>
264.361

> <MONOISOTOPIC_MASS>
264.17254

> <CHARGE>
0

> <SMILES>
CC(C)(C)C=1C=C(C=C(C1O)C(C)(C)C)C(=O)OC

> <INCHI>
InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3

> <INCHIKEY>
UPVYFJALDJUSOV-UHFFFAOYSA-N

$$$$