Molecule FYI-1006520

A

Molecule Summary:

ID: FYI-1006520
Names:
InChIKey: XRFSYDSFAJCJHE-XCVCLJGOSA-N
SMILES: O=C3C=C(/C=C/c1ccc(O)cc1)OC(c2ccc(O)cc2)C3

Received at FYIcenter.com on: 2023-12-31

Molecule ID: FYI-1006520 Edit

Molecule Structure InChIKey: XRFSYDSFAJCJHE-XCVCLJGOSA-N

Molecule Structure SMILES String: O=C3C=C(/C=C/c1ccc(O)cc1)OC(c2ccc(O)cc2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006520
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2305    0.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2594    2.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    0.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0119    2.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251   12.6467    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
 18 21  1  0  0  0  0
 11 22  2  0  0  0  0
  3 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006520-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
    0.8093    0.6665    0.0100 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1922    4.5002   -0.0135 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635   -3.6313    0.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2329   -1.5209    0.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377    0.9472   -0.4587 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7242    2.1728    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9993   -0.2764   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7954    3.3388    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    1.7521   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3490    3.0348   -0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5502   -0.9522   -1.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430   -0.7283    1.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4329    1.3833   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3444   -2.0797   -1.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0371   -1.8559    1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878   -2.5316    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505    0.1099    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -0.3170    0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2614    0.5808    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5949   -1.6193   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5963    0.1763    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9297   -2.0239   -0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9304   -1.1261    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.1421   -1.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094    2.4151   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    2.0403    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3431    3.8678   -0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3698   -0.6124   -2.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8134   -0.2231    1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397    2.2064   -0.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7709   -2.6019   -1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172   -2.1994    2.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1384   -0.7120    0.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0479    1.5971    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284   -2.3324   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3715    0.8783    0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1771   -3.0412   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4261   -3.8007    1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2807   -2.4503   -0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3 16  1  0  0  0  0
  3 38  1  0  0  0  0
  4 23  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  2  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-10, 2443👍, 0💬