Molecule FYI-1010637

A

Molecule Summary:

ID: FYI-1010637
Names:
InChIKey: UXLXQRORCGCJKZ-UHFFFAOYSA-N
SMILES: O=C(O)c3ccc(Oc2ccc(c1ccc(O)cc1)cc2)cc3

Received at FYIcenter.com on: 2024-06-28

Molecule ID: FYI-1010637 Edit

Molecule Structure InChIKey: UXLXQRORCGCJKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(Oc2ccc(c1ccc(O)cc1)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010637
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   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
    7.2746    4.2000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  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
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  4 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010637-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.1259   -6.3590    0.9501 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396   -6.3408   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307   -7.1280   -0.8732 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -5.4930   -1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0693   -5.2314   -0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421   -4.4463   -1.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2686   -3.9193   -2.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0916   -3.2030   -3.7473 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   -3.3199   -5.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9189   -2.1692   -5.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789   -2.2253   -7.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1740   -3.4301   -7.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7705   -3.5096   -9.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3835   -2.7186  -10.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0299   -2.8321  -11.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0583   -3.7478  -11.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6948   -3.9055  -13.2993 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -4.5386  -11.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7731   -4.4105   -9.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764   -4.5847   -7.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5323   -4.5384   -5.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9034   -4.1119   -3.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369   -4.9143   -2.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038   -7.1553   -1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5162   -5.6437    0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8897   -4.2615   -1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086   -1.2218   -5.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096   -1.3007   -7.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1673   -2.0131   -9.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5323   -2.2083  -12.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2119   -3.2883  -13.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692   -5.2540  -11.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2451   -5.0345   -8.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -5.5498   -7.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5190   -5.4568   -5.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313   -3.6555   -4.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0827   -5.0539   -2.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1746👍, 0💬