Molecule FYI-1006590

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A

Molecule Summary:

ID: FYI-1006590
Names:
InChIKey: VXXCRDZDUHBQPF-UHFFFAOYSA-N
SMILES: CCCCCCCCCNCCCCCCCC

Received at FYIcenter.com on: 2024-01-04

Molecule ID: FYI-1006590 Edit

Molecule Structure InChIKey: VXXCRDZDUHBQPF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCNCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006590
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   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
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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 N   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
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    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  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006590-3D
FYIcenter.com

 55 54  0     0  0  0  0  0  0999 V2000
   -0.2975    1.5637   -0.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    1.1208   -0.2981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311    1.2049    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567   -0.1592    0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058    2.4738   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812    0.7632    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491    0.5991   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8888   -0.3537   -0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3152   -0.2306   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5728    2.6347    0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6515    1.7334    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3314   -0.2506    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9805   -1.5264    0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2435   -1.3539   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4498   -1.6374   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6688   -1.2847    0.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1085   -2.9353    0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5879   -2.3618   -0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.1500   -1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7362    1.9950    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    1.1681    1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    0.3223   -0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3090   -1.0320   -0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8156   -0.1983    1.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0039    2.5039   -1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834    3.3469    0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9813    0.7548    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3804    1.7342   -0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5576    0.5819   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1473   -0.3656    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8922   -0.3341   -1.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4752   -1.3252    0.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8684    0.6299    0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3622   -0.1713   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    3.6051   -0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5919    2.6518    1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640    2.6936   -0.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6438    1.7335    1.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7436    0.7266    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3291   -0.2912    1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4285   -2.3831   -0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9112   -1.5952    1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3077    1.5492   -1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8119   -2.3325   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2768   -1.2867   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5269   -1.5560   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098   -0.7943    0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0991   -0.3021    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6382   -1.3732    1.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0833   -3.0343    1.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976   -3.7998   -0.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1544   -2.9595   -0.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2083   -3.3599   -0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6731   -2.2791   -1.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5900   -2.2653    0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 10  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 17  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 2129👍, 0💬