833466
  CDK     0121221436

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.5080   -0.0784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330   -0.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830   -0.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -3.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    3.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    2.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    3.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  2  0  0  0  0 
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  4 14  1  0  0  0  0 
  5 15  1  0  0  0  0 
  6  8  2  0  0  0  0 
  6 12  1  0  0  0  0 
  7  9  2  0  0  0  0 
  7 13  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 14  2  0  0  0  0 
 10 16  1  0  0  0  0 
 11 15  2  0  0  0  0 
 11 17  1  0  0  0  0 
 12 18  2  0  0  0  0 
 13 19  2  0  0  0  0 
 14 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 20 22  2  0  0  0  0 
 21 23  2  0  0  0  0 
M  END
> <ID>
CHEBI:189465

> <NAME>
4,4'-sulfonylbis[2-(prop-2-en-1-yl)phenol]

> <STAR>
2

> <IUPAC_NAME>
4-(4-hydroxy-3-prop-2-enylphenyl)sulonyl-2-prop-2-enylphenol

> <FORMULA>
C18H18O4S

> <MASS>
330.400

> <MONOISOTOPIC_MASS>
330.09258

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2

> <INCHIKEY>
MTMKZABGIQJAEX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
41481-66-7

> <CHEMIDPLUS>
41481-66-7

$$$$