Molecule FYI-1005617

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A

Molecule Summary:

ID: FYI-1005617
Names:
InChIKey: BDAGIAXQQBRORQ-UHFFFAOYSA-N
SMILES: c1cc2CCCC3CCc(c1)c23

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005617 Edit

Molecule Structure InChIKey: BDAGIAXQQBRORQ-UHFFFAOYSA-N

Molecule Structure SMILES String: c1cc2CCCC3CCc(c1)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005617
FYIcenter.com

 12 14  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6247    3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3336    4.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    5.1062    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 10  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005617-3D
FYIcenter.com

 26 28  0     1  0  0  0  0  0999 V2000
   -1.1360    1.0667    0.3223 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0203    0.1334    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5355    2.3466   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712    0.4788   -0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680    2.3031    0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    0.8277    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -0.9419    0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672   -1.2443    0.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4179   -1.8954   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4168    0.1359   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1332   -1.9481   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642   -1.2627   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3174    1.2078    1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246    3.2519    0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385    2.3443   -1.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2496    0.4332   -1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444    1.1079   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392    2.7024    1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5717    2.8464   -0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5171   -1.3658   -0.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603   -0.8789    1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166   -2.2773   -1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4797   -2.7523    0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3680    0.6546   -0.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1268   -3.0305   -0.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.8292   -0.1852 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  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
$$$$

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2023-11-13, 1439👍, 0💬