Molecule FYI-1005323

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A

Molecule Summary:

ID: FYI-1005323
Names:
InChIKey: HBIBPDJTHWSDAU-UHFFFAOYSA-N
SMILES: c2ccc(C1CCCCOCC1)cc2

Received at FYIcenter.com on: 2023-10-24

Molecule ID: FYI-1005323 Edit

Molecule Structure InChIKey: HBIBPDJTHWSDAU-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(C1CCCCOCC1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005323
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5634    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9883    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9883    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7758    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    4.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6815    5.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    5.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    2.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    1.9478    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
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005323-3D
FYIcenter.com

 32 33  0     1  0  0  0  0  0999 V2000
    3.2032   -0.8153   -0.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2002   -0.5753   -0.5202 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8843    0.6514   -1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -1.2073    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939    1.6880   -0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    1.5840   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601   -0.2629   -0.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -1.7619    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5099    0.2989    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6017    0.2787    1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2522   -0.5185   -1.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9353    0.5644    1.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5858   -0.2328   -0.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272    0.3086    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1751   -1.3563   -1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501    1.1684   -1.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532    0.3025   -1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -2.0361    1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.4901    1.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089    1.6764    0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900    2.6823   -0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4765    1.6814   -1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3619    2.4361    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7869   -2.1735    1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220   -2.5898   -0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    0.3444    0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    0.1926    1.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    0.5054    1.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0004   -0.9375   -2.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2013    0.9893    2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3582   -0.4309   -1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9653    0.5322    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
M  END
$$$$

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2023-11-02, 1357👍, 0💬