Molecule FYI-1004654

Home > Molecule

A

Molecule Summary:

ID: FYI-1004654
Names:
InChIKey: VYBCWGCXACXTOD-UHFFFAOYSA-N
SMILES: CC1OC(=O)C(C)OC(=O)C(C)OC1=O

Received at FYIcenter.com on: 2023-09-19

Molecule ID: FYI-1004654 Edit

Molecule Structure InChIKey: VYBCWGCXACXTOD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1OC(=O)C(C)OC(=O)C(C)OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004654
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7654    3.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7553    4.1310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7137    1.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3302    0.4851    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004654-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
    1.0026   -1.1332    0.5713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4835   -0.3018    0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4802    1.4354    0.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575   -0.7707   -1.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6451   -1.3091   -1.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115    2.0784   -1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -2.0706    0.0890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8035    1.0181    0.0890 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7833    1.0528    0.0887 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6433   -0.3866   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1563   -1.2296   -0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870    1.6160   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826   -2.9945    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    1.8288    1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    1.1667    1.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244   -2.6498   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5075    0.9576   -0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.6924   -0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797   -3.5777    1.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424   -2.4303    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1738   -3.6832    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335    1.8580    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6025    2.8584    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3384    1.3740    1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8585    2.2052    1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7768    0.8258    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760    0.5733    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 932👍, 0💬