avobenzone
  CDK     0223171731
null
 23 24  0  0  0  0  0  0  0  0999 V2000
   -0.7145   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -3.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -4.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723   -3.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  2  0  0  0  0 
  5  9  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  2  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  2  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 16  2  0  0  0  0 
 14 17  1  0  0  0  0 
 15 18  2  0  0  0  0 
 16 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 17 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:134751

> <NAME>
avobenzone

> <STAR>
2

> <SYNONYM>
photoplex; butylmethoxydibenzoylmethane

> <FORMULA>
C20H22O3

> <MASS>
310.388

> <MONOISOTOPIC_MASS>
310.15689

> <CHARGE>
0

> <SMILES>
C(CC(=O)C1=CC=C(C=C1)OC)(=O)C2=CC=C(C=C2)C(C)(C)C

> <INCHI>
InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3

> <INCHIKEY>
XNEFYCZVKIDDMS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
70356-09-1

$$$$