Molecule FYI-1004095

A

Molecule Summary:

ID: FYI-1004095
Names:
InChIKey: FPOCFZJOIORTJS-UHFFFAOYSA-N
SMILES: O=c4c(=O)c3c(oc2c(=O)c1ccccc1c(=O)c23)c5ccccc45

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004095 Edit

Molecule Structure InChIKey: FPOCFZJOIORTJS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4c(=O)c3c(oc2c(=O)c1ccccc1c(=O)c23)c5ccccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1004095
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    6.1812    1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3965    2.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    4.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1430    5.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7507    5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2194    1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6117    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1811    3.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3582    4.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278    6.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7124    6.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  8 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 12 14  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
 15 21  2  0  0  0  0
 14 18  2  0  0  0  0
 17 22  2  0  0  0  0
 16 23  2  0  0  0  0
 10 24  2  0  0  0  0
  7 25  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004095-3D
FYIcenter.com

 33 37  0     0  0  0  0  0  0999 V2000
    0.3707   -1.5605   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145    2.5039   -0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1302   -2.9084   -0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687    3.0082    0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7216    2.6631   -0.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134    0.4316   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6754    0.6826    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816   -0.5549   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403   -0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -0.8325    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8810    1.2821   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2017    0.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    0.2795    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906   -0.8369    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0611   -1.6866   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5010    1.8647    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134    1.6683    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2297   -2.1247    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543    0.0906    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731    1.3398    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5443   -1.4577    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6139   -2.3073    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717   -1.2054    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6187    0.7101    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7039   -0.6819    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -2.9979    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6401    0.9330    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3383    2.4259   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6393   -2.5401    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -3.3124    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5473   -1.3582    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5262    1.3073    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6774   -1.1640    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 16 17  1  0  0  0  0
 18 22  1  0  0  0  0
 18 26  1  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  1  0  0  0  0
 21 25  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  2  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 25  2  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1427👍, 0💬