Molecule FYI-1007975

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A

Molecule Summary:

ID: FYI-1007975
Names:
InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N
SMILES: CCCCCCc1ccccc1

Received at FYIcenter.com on: 2024-03-22

Molecule ID: FYI-1007975 Edit

Molecule Structure InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007975
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8831    8.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    7.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    6.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    4.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415    4.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    0.7048    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
    2.4415    7.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415    8.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6547    8.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  3  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007975-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    2.2879   -0.0635   -0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8971   -0.0035   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3869    0.0027    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008   -0.0357   -1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7766   -0.0236   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5759   -0.0129   -0.4539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8713    0.0762    0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2002   -1.2100   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1955    1.2048   -0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4727   -1.1890    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4680    1.2257    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1066    0.0288    0.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3896   -0.9899   -1.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    0.7711   -1.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052    0.9107    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745   -0.8478    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820   -0.8416    1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2716    0.9202    1.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894    0.8166   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948   -0.9324   -1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073   -0.9502   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    0.8094   -0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565    0.0542    0.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7883    1.0096    1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8158   -0.7595    1.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140   -2.1635   -0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057    2.1423   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9697   -2.1208    0.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9616    2.1739    0.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0972    0.0451    1.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
M  END
$$$$

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2024-04-14, 136👍, 0💬