Molecule FYI-1001078

Home > Molecule

A

Molecule Summary:

ID: FYI-1001078
SMILES: CC(=O)C1=CC=C(OC2CCCCO2)C=C1

Received at FYIcenter.com on: 2021-11-29

Molecule ID: FYI-1001078 Edit

Molecule Structure SMILES String: CC(=O)C1=CC=C(OC2CCCCO2)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001078
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 16  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001078-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    2.5340    1.7700   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.4314   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9440   -0.5277   -0.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153    0.2790    1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650   -0.7346    1.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168   -0.9595    3.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9444   -0.1854    3.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7752   -0.3398    4.4986 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541   -1.4873    5.3343 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3617   -1.3873    6.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8582   -1.5782    6.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1642   -2.7515    5.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216   -2.8289    4.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8545   -2.7295    4.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872    0.8382    2.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5303    1.0723    1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878    1.7292   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992    2.0161   -1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    2.5406   -0.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -1.3621    1.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4944   -1.7647    3.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5024   -1.5070    5.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0198   -2.1792    7.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1837   -0.4249    7.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3534   -1.7325    7.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2794   -0.6604    5.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0755   -3.6783    6.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2020   -2.6906    5.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3483   -3.7975    3.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4543   -2.0584    3.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1666    1.4488    2.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    1.8577    0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 2132👍, 0💬