Molecule Editor

Molecule ID: FYI-1016663 Edit

Molecule Structure InChIKey: HDNIDWXLYXGKBI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)COC(=O)CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016663
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
   12.1243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016663-3D
FYIcenter.com

 35 34  0     0  0  0  0  0  0999 V2000
   -2.0336   -0.0578   -0.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085    1.9529    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5177    0.3675    0.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3753   -1.5890    0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4654   -0.3545    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816    0.6329    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4694   -1.1499   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7963    0.4059    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264   -1.3299    1.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6157    0.6458   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3074   -0.1450   -0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491   -0.2664   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9201    0.7336   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1561    0.5201   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801   -0.3662    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3729    1.3423   -0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2866    1.2010    1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5423   -0.4802   -2.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3193   -1.8407   -1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568   -1.7451   -1.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9275    1.1103   -0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6496   -0.2815    0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8359    0.9785    1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120   -1.9288    1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1715   -2.0271    1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2996   -0.7940    2.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406    1.2724    0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521    1.3297   -0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -0.8456    0.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455   -0.7137   -1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8536   -0.8631   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -0.9782    0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1385    1.1353    0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2615    1.1770   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3151   -0.2012    0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3 15  1  0  0  0  0
  3 35  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
M  END
$$$$