Molecule FYI-1004309

A

Molecule Summary:

ID: FYI-1004309
Names:
InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N
SMILES: O=c2cc(c1ccc(O)cc1)oc3cc(O)cc(O)c23

Received at FYIcenter.com on: 2023-08-29

Molecule ID: FYI-1004309 Edit

Molecule Structure InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(c1ccc(O)cc1)oc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004309
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004309-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
   -0.0681    0.7800   -0.0476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1237   -1.8702    0.1093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265   -2.9343    0.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3310    2.8645   -0.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2534    0.6490   -0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0651   -0.6003    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328    0.6394   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7138   -0.3621    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1664   -0.0973    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2389   -1.8145    0.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238   -1.6099    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593   -0.6835    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933    1.8062   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.7275   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2176    0.4853   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430   -1.0335   -0.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6702    1.0909    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4151   -0.7831   -0.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0423    1.3414    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    0.4043   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8368   -2.5001    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039    2.7750   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3033    0.4227   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -1.9600   -0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141    1.8350    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0842   -1.5187   -0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259    2.2675    0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973   -2.6081    0.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2737    2.6256   -0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054   -0.1037   -0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 28  1  0  0  0  0
  3 10  2  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 20  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  2  0  0  0  0
 17 25  1  0  0  0  0
 18 20  2  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 847👍, 0💬