Molecule FYI-1004080

A

Molecule Summary:

ID: FYI-1004080
Names:
InChIKey: LSUJZNJOAZOOJS-UHFFFAOYSA-N
SMILES: Cc2cc(O)c1c(=O)ccc(=O)c1c2c4cc(O)c3c(=O)ccc(=O)c3c4C

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

Molecule ID: FYI-1004080 Edit

Molecule Structure InChIKey: LSUJZNJOAZOOJS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(O)c1c(=O)ccc(=O)c1c2c4cc(O)c3c(=O)ccc(=O)c3c4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004080
FYIcenter.com

 28 31  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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    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
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
  1  2  1  0  0  0  0
  2  3  1  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  1  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  2  0  0  0  0
  1  7  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  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
 13 20  1  0  0  0  0
 12 17  1  0  0  0  0
  3 21  2  0  0  0  0
  6 22  2  0  0  0  0
 10 23  1  0  0  0  0
  7 24  1  0  0  0  0
 16 25  1  0  0  0  0
 14 26  1  0  0  0  0
 20 27  2  0  0  0  0
 17 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004080-3D
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
    1.1197   -0.2191   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6201   -0.0763   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3159   -1.3037   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6975   -1.3533   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3161   -2.5640   -0.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4208   -0.1727    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9106   -0.1953    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5945   -1.2086    0.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6061    1.0983    0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    2.2331    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.2060    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747    3.1073    1.4054 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7302    1.0550    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    1.1655    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    2.5025   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.6309    0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5476    3.7540    0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966    3.6896    1.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0022    4.9089   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504    6.1307   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0240    6.1703    0.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525    7.3708   -0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9973    7.3979   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8481    6.1947   -1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0130    6.3341   -1.4877 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2742    4.8896   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0125    3.6564   -0.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2328    3.6092   -1.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -1.2237   -0.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7165    0.4812   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6264   -0.0989    0.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565   -2.2358   -0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6642   -3.2880   -0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6626    1.0705   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4661    3.1947    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    1.8270    1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9608    2.7663    1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265    8.2555   -0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4478    8.3181   -1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1352    4.2783   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3655    2.6172   -2.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1323    3.9010   -1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  2  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 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
 15 27  2  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 1604👍, 0💬