Molecule FYI-1001259

Home > Molecule

A

Molecule Summary:

ID: FYI-1001259
SMILES: C=1(C=CC(=CC=1)N(C)C)(OC(C(OC=2(C(=CC=C(C=2)O)CC=3(C(=CC=CC=3)O)))=O)(C)C)

Received at FYIcenter.com on: 2022-04-17

Molecule ID: FYI-1001259 Edit

Molecule Structure SMILES String: C=1(C=CC(=CC=1)N(C)C)(OC(C(OC=2(C(=CC=C(C=2)O)CC=3(C(=CC=CC=3)O)))=O)(C)C)

Download SDF Download SVG Structure in 2D SDF:

FYI-1001259
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    5.4124    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
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 12  2  0  0  0  0
 30 11  1  0  0  0  0
 31 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001259-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    2.8895    0.7745    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    2.1494    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2779    2.9915    1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5235    2.4864    2.9751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4315    1.1127    3.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957    0.2794    2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908    3.3460    4.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5525    2.8181    5.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0310    4.1111    3.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    0.0087   -0.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1149   -1.3575   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3479   -2.2317    0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -2.9435    1.5675 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7451   -3.7589    2.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6866   -4.1386    3.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -5.1192    4.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223   -5.6268    4.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0791   -5.1416    3.7301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4324   -4.2326    2.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -5.5490    3.7794 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0465   -3.4866    3.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2045   -4.0336    2.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881   -3.4705    3.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5556   -3.9291    2.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613   -4.9618    1.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1091   -5.5576    1.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431   -5.1034    2.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903   -2.4488    3.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -2.2120    0.7879 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7168   -1.9531   -1.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493   -1.3382   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7704    2.5805   -0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040    4.0677    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6114    0.6395    4.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105   -0.7552    2.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    2.2006    5.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001    3.6487    6.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    2.2237    5.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2905    4.3435    2.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8741    3.5656    4.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9237    5.0606    4.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0484   -5.4831    5.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634   -6.3784    5.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -3.9208    2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -6.1368    4.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3268   -3.5236    4.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315   -2.4207    3.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5354   -3.4709    2.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1866   -5.3036    0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9555   -6.3750    0.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824   -5.6005    1.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9824   -2.0786    4.3302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6469   -2.1901   -1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -2.8867   -1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -1.2528   -2.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0525   -0.7472    0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320   -0.8505   -1.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0784   -2.3384   -0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  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
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 439👍, 0💬