6929
  CDK     0602212310

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.3645    0.5404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -1.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  2 17  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 10  1  0  0  0  0 
  3 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 13  1  0  0  0  0 
  4 14  1  0  0  0  0 
  4 15  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  6  9  2  0  0  0  0 
  8 16  2  0  0  0  0 
  9 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:173703

> <NAME>
2,6-Di-tert-butyl-4-hydroxymethylphenol

> <STAR>
2

> <SYNONYM>
DO0750000

> <IUPAC_NAME>
2,6-ditert-butyl-4-(hydroxymethyl)phenol

> <FORMULA>
C15H24O2

> <MASS>
236.355

> <MONOISOTOPIC_MASS>
236.17763

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3

> <INCHIKEY>
HNURKXXMYARGAY-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
88-26-6

> <CHEMIDPLUS>
88-26-6

$$$$