Molecule FYI-1004084

A

Molecule Summary:

ID: FYI-1004084
Names:
InChIKey: ISTBADQWZSTTOA-UHFFFAOYSA-N
SMILES: O=c3c(O)c(c2c(O)c(=O)c1ccccc1c2=O)c(=O)c4ccccc34

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

Molecule ID: FYI-1004084 Edit

Molecule Structure InChIKey: ISTBADQWZSTTOA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3c(O)c(c2c(O)c(=O)c1ccccc1c2=O)c(=O)c4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004084
FYIcenter.com

 26 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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    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
    8.4870    5.6000    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
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
    9.6995    6.3000    0.0000 C   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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   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
  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
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 11 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 13 17  2  0  0  0  0
  7 21  2  0  0  0  0
 10 22  2  0  0  0  0
 15 23  2  0  0  0  0
 12 24  2  0  0  0  0
  8 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004084-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   -1.3955    2.2098    0.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836    1.0677    0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687   -0.0376    0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3091    0.3157    0.3978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -1.2958    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4415   -2.3160   -0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722   -3.1758    0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3135   -3.0746    1.7936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8238   -4.3467   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3296   -5.2578    0.4072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -4.3825   -1.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5739   -5.4008   -2.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6815   -5.4009   -3.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0881   -4.3864   -4.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549   -3.3884   -3.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -3.4013   -2.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4204   -2.3818   -1.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559   -1.5868   -2.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1222   -1.6626    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348   -2.8351    0.3725 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643   -0.5746    0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239   -0.8776    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545    0.1513    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7283    1.4811    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3770    1.7840    0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    0.7518    0.3854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3198    1.2964    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -2.1454    2.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0456   -6.1934   -1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2360   -6.1924   -4.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1886   -4.3760   -5.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8835   -2.6050   -4.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575   -1.9159    0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2087   -0.0838   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4523    2.2823   -0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0529    2.8236    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1008👍, 0💬