Molecule FYI-1006961

Home > Molecule

A

Molecule Summary:

ID: FYI-1006961
Names:
InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N
SMILES: CC(=O)OCCc1ccccc1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006961 Edit

Molecule Structure InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006961
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.8936    7.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9261    8.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    6.8107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0427    5.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    4.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918    2.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777    2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4777    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1918    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    0.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058    2.2261    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006961-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    1.7454   -0.0337    0.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145    0.4230   -0.9162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211    1.4979    0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1150    0.6317    0.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027    1.3094    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413    1.0967   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3121   -0.6434    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9644    0.2867   -1.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -1.4534    0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612   -0.9884   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238   -0.3434   -0.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2637   -1.7831   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1287    1.2760    2.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3214    2.5518    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0533    1.9881    0.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1734    1.5377   -0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7970    2.0874   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762   -1.0185    1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6074    0.6485   -1.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4883   -2.4462    0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9577   -1.6191   -0.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756   -2.4222   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -1.9598    1.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2028   -2.0238   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 290👍, 0💬