Molecule FYI-1010659

A

Molecule Summary:

ID: FYI-1010659
Names:
InChIKey: LRCNDPKJRWANDY-UHFFFAOYSA-N
SMILES: O=C(O)c4ccc(Oc3ccc(c2ccc(OC(=O)c1ccc(O)cc1)cc2)cc3)cc4

Received at FYIcenter.com on: 2024-07-01

Molecule ID: FYI-1010659 Edit

Molecule Structure InChIKey: LRCNDPKJRWANDY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c4ccc(Oc3ccc(c2ccc(OC(=O)c1ccc(O)cc1)cc2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010659
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4250   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010659-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.2935   -1.2264   -6.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871   -0.0474   -6.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246    0.4672   -7.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790    0.9709   -5.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503    0.8186   -5.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391    1.7735   -4.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0547    2.8758   -4.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990    3.8163   -3.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4063    5.1331   -3.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4147    5.9096   -2.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9455    7.2289   -2.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4763    7.8053   -3.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841    9.2015   -3.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733   10.2068   -2.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   11.5363   -2.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1367   11.8981   -3.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6452   13.2155   -3.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714   14.3059   -3.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6686   14.3066   -3.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597   15.5438   -3.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5856   15.7322   -4.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1394   16.9281   -4.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   17.9188   -3.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   19.0945   -3.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822   17.7434   -2.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0147   16.5575   -2.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   10.9242   -4.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285    9.5890   -4.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    7.0105   -4.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114    5.7005   -4.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680    2.9784   -4.2082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    2.0418   -4.9799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9952    1.4408   -7.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842   -0.0414   -5.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8063    1.6604   -4.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635    5.4913   -1.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9382    7.8002   -1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4005    9.9720   -2.1621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271   12.2640   -2.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3175   14.9651   -5.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   17.0709   -5.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1914   19.0855   -4.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5479   18.5275   -2.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581   16.4245   -2.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988   11.1975   -5.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124    8.8498   -5.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032    7.4072   -5.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0475    5.1225   -5.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1144    3.7988   -3.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9081    2.1522   -5.1052 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 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  2  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  2  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  2  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
M  END
$$$$

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2024-07-15, 1191👍, 0💬