Molecule FYI-1010511

A

Molecule Summary:

ID: FYI-1010511
Names:
InChIKey: RKBIBGCWOVKDQJ-UHFFFAOYSA-N
SMILES: COc2cc(c1cc(OC)c(OC)c(OC)c1)cc(OC)c2OC

Received at FYIcenter.com on: 2024-06-11

Molecule ID: FYI-1010511 Edit

Molecule Structure InChIKey: RKBIBGCWOVKDQJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(c1cc(OC)c(OC)c(OC)c1)cc(OC)c2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1010511
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    4.2000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   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
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   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
  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
  2  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010511-3D
FYIcenter.com

 46 47  0     0  0  0  0  0  0999 V2000
   -3.4627    2.2727   -0.9962 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847   -2.3564   -0.4427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5035   -2.2152    0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874    2.3679    0.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8746    0.0346   -0.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8774    0.0006   -0.0240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7218    0.0195   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    0.0147   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -1.1096    0.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    1.2039    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4090    1.1538   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214   -1.1792   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    1.1588   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8161   -1.1839   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8241   -1.1048    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173    1.1992    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5113    0.0294   -0.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141    0.0054   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929    3.2470   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7814   -3.1235    0.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8077   -3.1859   -0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7870    2.7165    1.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5403   -0.1731    1.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    0.2078   -1.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317   -2.0011    0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163    2.1490    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940    2.0415   -0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9151   -2.1205   -0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    3.6422    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4504    2.8177    0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3192    4.0692   -0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584   -3.4258    1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4157   -2.5532    1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3212   -4.0224    0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4313   -2.7484   -1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619   -4.0017    0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -3.5916   -0.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    1.9543    2.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    2.8402    2.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279    3.6667    1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8231   -1.2243    1.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4567    0.4244    1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9319    0.1440    1.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2913    1.1871   -1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901   -0.5822   -1.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6243    0.1766   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  1  0  0  0  0
  4 22  1  0  0  0  0
  5 17  1  0  0  0  0
  5 23  1  0  0  0  0
  6 18  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 25  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 1461👍, 0💬