Molecule FYI-1006960

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A

Molecule Summary:

ID: FYI-1006960
Names:
InChIKey: GYHFUZHODSMOHU-UHFFFAOYSA-N
SMILES: CCCCCCCCC=O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006960 Edit

Molecule Structure InChIKey: GYHFUZHODSMOHU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006960
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.9381    7.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    6.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    5.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5150    3.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    2.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6683    0.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6064    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006960-3D
FYIcenter.com

 28 27  0     0  0  0  0  0  0999 V2000
   -4.7017   -1.1277    0.0419 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897   -0.2723   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    0.5023    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114    0.6763   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0455   -0.4005   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0321   -0.0999   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3628    0.3728    0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2492    0.8208   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5597   -0.5622   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5720    0.0904   -0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   -0.8782   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4435   -0.9636    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    1.1854   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8306    1.1255    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    1.2964    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    1.3540   -0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901   -1.0959    0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0314   -1.0111   -0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0714   -0.7444   -0.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730   -0.7667    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130    1.0959   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4100    0.9409    0.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347    1.4609    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    1.4696   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5574   -1.1184   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4914    0.0095    0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540   -1.2823    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4609    0.7433   -0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
M  END
$$$$

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2024-01-31, 256👍, 0💬