
 (1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene

 40 39  0  0  0  0  0  0  0  0999 V2000
    3.3828    6.2582    4.7618 C   0  0  0  0  0
    4.3679    5.3683    4.0231 C   0  0  0  0  0
    4.2479    5.5274    2.5079 C   0  0  0  0  0
    5.2603    4.6412    1.7934 C   0  0  0  0  0
    5.2003    4.8561    0.0196 S   0  0  0  0  0
    3.9194    4.3586   -0.4444 O   0  0  0  0  0
    5.6258    6.2092   -0.2824 O   0  0  0  0  0
    6.4298    3.7470   -0.5167 C   0  0  0  0  0
    7.7149    4.0109   -0.2382 C   0  0  0  0  0
    8.7954    3.1251   -0.6031 C   0  0  0  0  0
   10.0586    3.3484   -0.2136 C   0  0  0  0  0
   11.3198    2.2443   -0.6688 S   0  0  0  0  0
   12.3966    2.3721    0.2930 O   0  0  0  0  0
   10.7422    0.9409   -0.9455 O   0  0  0  0  0
   11.8895    2.9101   -2.2228 C   0  0  0  0  0
   12.4702    4.3146   -2.0996 C   0  0  0  0  0
   12.9850    4.8180   -3.4472 C   0  0  0  0  0
   13.5639    6.2193   -3.3325 C   0  0  0  0  0
    3.4831    6.1173    5.8425 H   0  0  0  0  0
    2.3519    6.0205    4.4815 H   0  0  0  0  0
    3.5662    7.3145    4.5390 H   0  0  0  0  0
    4.1891    4.3230    4.3021 H   0  0  0  0  0
    5.3861    5.6186    4.3439 H   0  0  0  0  0
    4.4104    6.5765    2.2328 H   0  0  0  0  0
    3.2326    5.2694    2.1841 H   0  0  0  0  0
    5.0661    3.5844    2.0035 H   0  0  0  0  0
    6.2737    4.8916    2.1219 H   0  0  0  0  0
    6.0963    2.8664   -1.0477 H   0  0  0  0  0
    7.9795    4.9252    0.2944 H   0  0  0  0  0
    8.5478    2.2455   -1.1981 H   0  0  0  0  0
   10.3533    4.1900    0.3985 H   0  0  0  0  0
   11.0451    2.8879   -2.9202 H   0  0  0  0  0
   12.6499    2.2135   -2.5922 H   0  0  0  0  0
   13.2886    4.3172   -1.3700 H   0  0  0  0  0
   11.7092    5.0070   -1.7215 H   0  0  0  0  0
   12.1689    4.8246   -4.1788 H   0  0  0  0  0
   13.7577    4.1397   -3.8275 H   0  0  0  0  0
   12.8058    6.9297   -2.9873 H   0  0  0  0  0
   13.9295    6.5592   -4.3065 H   0  0  0  0  0
   14.4016    6.2414   -2.6282 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  8  1  0  0  0
  5  7  2  0  0  0
  5  6  2  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 15  1  0  0  0
 12 14  2  0  0  0
 12 13  2  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
M  END

>  <Chemical Name>
(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene

>  <PubChem CID>
5286934

>  <Formula>
C12H22O4S2

>  <Molecular Weight>
294.424000

>  <IUPAC Name>
(1Z,3Z)-1,4-bis(butylsulfonyl)buta-1,3-diene

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCS(=O)(=O)C=CC=CS(=O)(=O)CCCC

>  <Isomeric SMILES>
CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC

>  <InChI Std. ID>
InChI=1S/C12H22O4S2/c1-3-5-9-17(13,14)11-7-8-12-18(15,16)10-6-4-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b11-7-,12-8-

>  <InChI Key>
AWAPBXGSDGWNHK-OXAWKVHCSA-N

