Molecule FYI-1007300

A

Molecule Summary:

ID: FYI-1007300
Names:
InChIKey: HBOPLQPPZRGJQG-UHFFFAOYSA-N
SMILES: Cc1cc3c(C)c5c(C)c7c%14ccc%13cc%12cccc%11=CC%10C=C(C(=O)O)c9cc8cc6cc4cc2=CCC(C(=O)O)=c1c2c3c4c5c6c7c8c%15c9c%10c(c%11%12)c%13c%14%15

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007300 Edit

Molecule Structure InChIKey: HBOPLQPPZRGJQG-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc3c(C)c5c(C)c7c%14ccc%13cc%12cccc%11=CC%10C=C(C(=O)O)c9cc8cc6cc4cc2=CCC(C(=O)O)=c1c2c3c4c5c6c7c8c%15c9c%10c(c%11%12)c%13c%14%15

Download SDF Download SVG Structure in 2D SDF:

FYI-1007300
FYIcenter.com

 57 71  0  0  0  0  0  0  0  0999 V2000
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    9.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    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
    9.6995    4.9000    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
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    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    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
    6.0622    7.0000    0.0000 C   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
    4.8497    4.9000    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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
    3.6373    4.2000    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 O   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    4.8497    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
    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
    9.6995    2.1000    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
  1  6  1  0  0  0  0
  1  2  2  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  2 13  1  0  0  0  0
  3 10  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  6 17  1  0  0  0  0
  1 14  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 12 23  1  0  0  0  0
 11 20  2  0  0  0  0
 24 25  2  0  0  0  0
 23 24  1  0  0  0  0
 18 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 19 28  1  0  0  0  0
 25 26  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 16 32  1  0  0  0  0
 15 29  1  0  0  0  0
 29 33  1  0  0  0  0
 28 33  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 22 37  1  0  0  0  0
 21 34  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
 35 38  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 40 45  1  0  0  0  0
 39 42  2  0  0  0  0
 46 47  2  0  0  0  0
 48 49  1  0  0  0  0
 45 49  1  0  0  0  0
 44 46  1  0  0  0  0
 46 50  1  0  0  0  0
 41 51  1  0  0  0  0
 51 52  1  0  0  0  0
 49 52  2  0  0  0  0
 37 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 51 54  2  0  0  0  0
 53 56  2  0  0  0  0
 56 57  1  0  0  0  0
 24 56  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007300-3D
FYIcenter.com

 85 99  0  0  1  0  0  0  0  0999 V2000
   21.1400    2.3979   22.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5131    3.3095   21.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7497    2.7037   20.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2961    3.3234   19.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5631    2.6159   18.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0257    1.2677   18.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2925    3.1030   17.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7833    2.3239   16.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9907    1.0441   16.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5468    2.9380   14.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3232    2.2809   13.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6608    0.9120   13.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3998    0.4907   12.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5792    1.3940   11.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9569    0.9286   10.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9816   -0.1002   10.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8145   -1.1860    9.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9891   -2.2754   10.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1280   -2.1248   11.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0484   -0.8220   12.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0050   -0.2842   12.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0081    1.2092   13.4083 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2983    2.3081   12.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0412    3.3516   11.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1618    2.9707   10.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1743    3.7544    9.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2293    1.6229   10.2597 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2351    4.0336   12.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0862    5.1995   12.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3718    5.6267   13.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4279    6.6001   13.9060 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5570    6.5080   15.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5839    7.2735   15.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4061    6.7730   17.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2951    7.4264   18.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8077    6.8009   19.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5400    7.4037   20.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8722    6.7932   21.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1605    5.5137   22.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7517    5.1182   23.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7262    4.4945   23.9280 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5632    5.5002   24.6759 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7562    4.7370   21.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4725    5.3951   19.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7316    4.7138   18.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2125    5.3459   17.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4799    4.5720   16.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6396    5.1479   15.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9470    4.2560   15.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6141    4.4917   14.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0695    3.3239   14.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6885    3.0933   13.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4244    1.7461   13.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3698    1.2057   12.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1797    0.0727   11.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5677    2.0196   12.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0294    2.7111   13.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4649    1.4615   22.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4130    2.1098   23.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.0322    2.8138   22.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5682    1.6594   20.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2345    0.8567   19.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4235    0.5307   18.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9407    1.3757   18.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5675    0.7624   17.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6038    0.2209   15.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0641    1.1481   15.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5374    0.1183   14.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2882   -0.5776   11.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4236    1.6597    9.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3316   -1.2731    8.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1496   -3.2192    9.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5609   -2.9973   11.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0879   -0.8714   12.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4890    1.0888   14.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3945    1.9349   12.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3803    1.0864   11.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250    5.8043   11.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6697    7.3896   13.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9206    8.2467   15.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6570    8.4394   17.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9361    8.4106   20.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6956    7.5258   22.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9493    6.5549   21.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2902    6.1021   24.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 58  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  2  3  2  0  0  0  0
  2 43  1  0  0  0  0
  3  4  1  0  0  0  0
  3 61  1  0  0  0  0
  4  5  2  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 62  1  0  0  0  0
  6 63  1  0  0  0  0
  6 64  1  0  0  0  0
  7  8  2  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 65  1  0  0  0  0
  9 66  1  0  0  0  0
  9 67  1  0  0  0  0
 10 11  2  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  2  0  0  0  0
 12 68  1  0  0  0  0
 13 14  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  2  0  0  0  0
 14 56  1  0  0  0  0
 15 16  1  0  0  0  0
 15 70  1  0  0  0  0
 16 17  2  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 71  1  0  0  0  0
 18 19  2  0  0  0  0
 18 72  1  0  0  0  0
 19 20  1  0  0  0  0
 19 73  1  0  0  0  0
 20 21  2  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 74  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 75  1  0  0  0  0
 23 24  2  0  0  0  0
 23 76  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 77  1  0  0  0  0
 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 78  1  0  0  0  0
 30 31  2  0  0  0  0
 30 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 79  1  0  0  0  0
 32 33  2  0  0  0  0
 32 48  1  0  0  0  0
 33 34  1  0  0  0  0
 33 80  1  0  0  0  0
 34 35  2  0  0  0  0
 34 46  1  0  0  0  0
 35 36  1  0  0  0  0
 35 81  1  0  0  0  0
 36 37  2  0  0  0  0
 36 44  1  0  0  0  0
 37 38  1  0  0  0  0
 37 82  1  0  0  0  0
 38 39  1  0  0  0  0
 38 83  1  0  0  0  0
 38 84  1  0  0  0  0
 39 40  1  0  0  0  0
 39 43  2  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 85  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 51 57  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1847👍, 0💬