Molecule FYI-1005869

Home > Molecule

A

Molecule Summary:

ID: FYI-1005869
Names:
InChIKey: ZAYKUYSGARCXKQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(N)=O

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005869 Edit

Molecule Structure InChIKey: ZAYKUYSGARCXKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005869
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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  1  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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005869-3D
FYIcenter.com

 75 74  0  0  0  0  0  0  0  0999 V2000
    1.0166    0.0962   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    0.0943    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508    0.6487    1.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.6501    1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0803    1.2046    2.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974    1.2051    2.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1080    1.7573    3.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6246    1.7593    3.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1349    2.3114    5.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6514    2.3134    5.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1616    2.8655    6.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6781    2.8674    6.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1883    3.4195    7.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7047    3.4215    7.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2149    3.9736    9.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7313    3.9737    9.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2414    4.5239   10.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7579    4.5259   10.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2661    5.0747   11.9035 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7828    5.0803   11.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2934    5.6307   13.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8142    5.6313   13.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3784    6.1781   14.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8843    6.1796   14.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4943    6.6529   15.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5768    5.7871   13.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.3018   -0.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6326    1.1136    0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279   -0.5213    0.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052    0.7005   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -0.9275   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6768    0.0426    2.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.6702    1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9472    1.2583    0.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448   -0.3703    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7044    0.5973    3.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068    2.2256    2.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9743    1.8140    1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9720    0.1846    2.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    1.1477    4.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    2.7774    4.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    2.3690    3.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.7392    3.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7596    1.7018    6.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7596    3.3315    5.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0267    2.9230    4.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0267    1.2933    5.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863    2.2558    7.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863    3.8856    6.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0534    3.4771    5.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0534    1.8473    6.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8130    2.8099    8.7655 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8130    4.4396    8.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0801    4.0311    7.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0800    2.4014    7.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8384    3.3647   10.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8408    4.9942    9.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1078    4.5836    8.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1055    2.9533    9.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8661    3.9130   11.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8662    5.5437   10.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1334    5.1380    9.7546 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1335    3.5063   10.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8920    4.4613   12.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8897    6.0937   12.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1571    5.6918   11.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1595    4.0613   11.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9178    5.0156   14.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9154    6.6495   13.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1670    6.2376   12.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1692    4.6061   13.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0221    5.5625   15.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0220    7.2026   14.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0070    6.9909   16.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5109    6.6598   15.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  1  0  0  0  0
 20 66  1  0  0  0  0
 20 67  1  0  0  0  0
 21 22  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 22 23  1  0  0  0  0
 22 70  1  0  0  0  0
 22 71  1  0  0  0  0
 23 24  1  0  0  0  0
 23 72  1  0  0  0  0
 23 73  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 74  1  0  0  0  0
 25 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2467👍, 0💬