616296
  CDK     1103211841

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.3645    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2 17  2  0  0  0  0 
  3  5  1  0  0  0  0 
  3  8  1  0  0  0  0 
  3  9  1  0  0  0  0 
  3 10  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 11  1  0  0  0  0 
  4 12  1  0  0  0  0 
  4 13  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5 14  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6 15  2  0  0  0  0 
 14 16  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:183278

> <NAME>
3,5-di-tert-Butyl-4-hydroxyacetophenone

> <STAR>
2

> <IUPAC_NAME>
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone

> <FORMULA>
C16H24O2

> <MASS>
248.366

> <MONOISOTOPIC_MASS>
248.17763

> <CHARGE>
0

> <SMILES>
OC1=C(C(C)(C)C)C=C(C=C1C(C)(C)C)C(=O)C

> <INCHI>
InChI=1S/C16H24O2/c1-10(17)11-8-12(15(2,3)4)14(18)13(9-11)16(5,6)7/h8-9,18H,1-7H3

> <INCHIKEY>
WGJPGMJLARWHRK-UHFFFAOYSA-N

$$$$