Molecule FYI-1006117

A

Molecule Summary:

ID: FYI-1006117
Names:
InChIKey: UMXYMLMBQKTCNB-UHFFFAOYSA-N
SMILES: O=C2C(O)=C(c1ccc(O)c(O)c1)Cc3cc(O)cc(O)c23

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006117 Edit

Molecule Structure InChIKey: UMXYMLMBQKTCNB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2C(O)=C(c1ccc(O)c(O)c1)Cc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006117
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    2.8000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006117-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -0.8723    2.4431   -0.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    1.9620   -0.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    2.7624   -0.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9885   -2.6985    0.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9463    0.6566    1.7554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0368   -0.9425   -0.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802   -1.1214   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528   -0.8268    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021    0.0942   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3526    0.4763   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0346    1.3524   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9565   -0.1762   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    1.6180   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7539   -1.8910    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    0.7125    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269   -1.6561    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149   -0.3550    0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7805    0.3710    0.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5040   -0.9782   -1.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1518    0.1164    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8752   -1.2333   -1.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6992   -0.6859   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238   -1.7685   -0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0943   -1.6860    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -2.9085    0.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6854   -0.1731    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3591    0.9893    1.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -1.4062   -1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2889   -1.8581   -1.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130    3.2376   -0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    2.6352   -0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4789   -3.5260    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3964    1.1820    2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2335   -1.5143   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 30  1  0  0  0  0
  2 15  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4 16  1  0  0  0  0
  4 32  1  0  0  0  0
  5 20  1  0  0  0  0
  5 33  1  0  0  0  0
  6 22  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 26  1  0  0  0  0
 18 20  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  2  0  0  0  0
 19 28  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-03, 343👍, 0💬