Molecule FYI-1004200

Home > Molecule

A

Molecule Summary:

ID: FYI-1004200
Names:
InChIKey: ZMOMBHNITWAALH-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCCNCCO

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004200 Edit

Molecule Structure InChIKey: ZMOMBHNITWAALH-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCCNCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1004200
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
   20.6114    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004200-3D
FYIcenter.com

 63 62  0  0  0  0  0  0  0  0999 V2000
    5.0431    5.9752    8.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395    5.3503    7.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1685    3.8404    7.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2653    3.2036    6.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    1.6947    7.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3654    1.0494    6.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3709   -0.4617    6.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4664   -1.0729    5.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5045   -2.5638    5.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3646   -3.3159    4.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4135   -2.7835    4.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264   -3.0457    4.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1324   -4.5374    4.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5596   -4.8013    5.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8038   -6.3042    5.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2251   -6.5997    5.5363 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4765   -8.1037    5.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9068   -8.3773    6.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1456   -9.8177    6.0512 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5159  -10.0861    6.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7500  -11.5956    6.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4429  -12.1279    5.2478 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269    7.0599    8.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2033    5.7644    9.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0610    5.5794    8.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1065    5.7807    7.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9689    5.5956    6.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1972    3.4126    7.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3333    3.5971    8.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    3.6206    7.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1041    3.4357    5.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2998    1.2752    6.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4367    1.4596    8.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3427    1.4635    6.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2064    1.2839    5.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952   -0.8790    6.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5395   -0.7029    7.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4354   -0.6631    5.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2941   -0.7867    4.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8032   -3.0637    6.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3069   -4.3952    5.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3060   -1.7046    3.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2716   -3.2476    3.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9614   -2.5912    5.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5404   -2.5531    3.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9666   -4.9808    3.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4536   -5.0422    5.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7274   -4.3613    6.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2645   -4.3268    4.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6276   -6.7408    4.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0921   -6.7735    5.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3943   -6.1704    6.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347   -6.1219    4.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3000   -8.5320    4.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7669   -8.5804    6.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0595   -7.9479    7.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6060   -7.8906    5.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0460  -10.1957    5.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6762   -9.6759    7.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2275   -9.6214    5.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1031  -12.0882    7.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7908  -11.8259    6.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5463  -11.7930    5.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  2  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 17 54  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 20  1  0  0  0  0
 19 58  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 22  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 3160👍, 0💬