Molecule FYI-1006204

Home > Molecule

A

Molecule Summary:

ID: FYI-1006204
Names:
InChIKey: XYYYPIAQQFQTAN-UHFFFAOYSA-N
SMILES: COc3cc2[nH]c1ccccc1c2cc3C

Received at FYIcenter.com on: 2023-12-02

Molecule ID: FYI-1006204 Edit

Molecule Structure InChIKey: XYYYPIAQQFQTAN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc2[nH]c1ccccc1c2cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006204
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.6777    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    8.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 15  4  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006204-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    3.8484    0.6565   -0.3030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216    1.6754   -0.1283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693   -0.4223   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229    0.9134   -0.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5986   -0.4440    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    0.8790   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289   -1.4192   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -1.0437   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639    1.3043   -0.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.2986   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606   -1.4708    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925    1.2290    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2205   -2.1105   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9186   -1.1363    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3262    0.1944    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5326    0.8962    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397    2.6843   -0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5478   -2.4664    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    2.3519   -0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583   -2.5134    0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107    2.2653   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -1.8978   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6645   -2.1974    0.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.0855   -0.3859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6622   -1.9248    0.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3860    0.4331    0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4909    0.0195    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031    1.7634    1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5802    1.1106    0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 15  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 1635👍, 0💬