Molecule FYI-1003534

A

Molecule Summary:

ID: FYI-1003534
Names:
InChIKey: NLZZEGFTLLVEPN-UHFFFAOYSA-N
SMILES: O=c3c(c1ccccc1)c(O)c(=O)c4c2cc(O)ccc2oc34

Received at FYIcenter.com on: 2023-06-28

Molecule ID: FYI-1003534 Edit

Molecule Structure InChIKey: NLZZEGFTLLVEPN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c3c(c1ccccc1)c(O)c(=O)c4c2cc(O)ccc2oc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003534
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.1783    6.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    7.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    6.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    5.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1783    5.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    2.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    3.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    5.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    6.6370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    4.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    2.4369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003534-3D
FYIcenter.com

 33 36  0     0  0  0  0  0  0999 V2000
   -1.5293    1.8350   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992   -2.4866   -0.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2847    2.2454    0.0133 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8544   -2.7260    0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1233   -1.1248   -0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839   -0.3958    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5864   -0.1728    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033    0.8475    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7456    1.2136   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -0.1168    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979    1.1202    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -1.5951    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -1.3506    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406   -0.9769   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1288    0.0414    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9819    1.8574   -0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9970   -0.3557   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1128    1.0361   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8281    0.1224    1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8162    0.1099   -1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2149    0.2720    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    0.2596   -1.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    0.3406   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6562   -2.0598    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0645    2.9378   -0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0984    1.4964   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3061    0.0710    2.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2850    0.0488   -2.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073   -3.2585   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7595    0.3352    2.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7384    0.3132   -2.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9822    0.4572   -0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8650   -2.0625   -0.0032 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 13  1  0  0  0  0
  2 29  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5 17  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 12 13  1  0  0  0  0
 14 17  2  0  0  0  0
 14 24  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 26  1  0  0  0  0
 19 21  1  0  0  0  0
 19 27  1  0  0  0  0
 20 22  2  0  0  0  0
 20 28  1  0  0  0  0
 21 23  2  0  0  0  0
 21 30  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 3646👍, 0💬