Molecule FYI-1007145

A

Molecule Summary:

ID: FYI-1007145
Names:
InChIKey: AFTYWILGCMIOLB-UHFFFAOYSA-N
SMILES: CC(C)c3c(c1ccc(O)cc1)oc2cc(F)cc(O)c2c3=O

Received at FYIcenter.com on: 2024-02-03

Molecule ID: FYI-1007145 Edit

Molecule Structure InChIKey: AFTYWILGCMIOLB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c3c(c1ccc(O)cc1)oc2cc(F)cc(O)c2c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007145
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   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
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    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
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
  1  9  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007145-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.2041   -0.3960    0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5418   -0.1430   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4636   -0.4839   -1.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    1.2645    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    1.5663    0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1938    0.5103    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1610    0.0540    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9426   -1.0643    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7605   -1.7178    1.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4639   -2.8434    1.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8382   -1.2513    2.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0549   -0.1337    2.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7383    2.8427    0.8655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9418    3.9110    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4478    5.1793    0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883    6.3043    0.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1743    7.5222    0.8018 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    6.1893   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9284    4.9213   -0.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835    4.8238   -0.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878    3.7724   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    2.4072   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    2.2122   -1.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748   -1.4672    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3699    0.1107    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2364   -0.0638    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2325   -0.8763    0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7583    0.1528   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1354   -1.5198   -1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4449   -0.3782   -2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831    0.5467   -0.8095 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6647   -1.4189   -0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100   -3.0915    1.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7096   -1.7737    3.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3117    0.2029    3.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4252    5.3008    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638    7.0902   -0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109    5.6982   -1.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 402👍, 0💬