Molecule FYI-1014778

A

Molecule Summary:

ID: FYI-1014778
Names:
InChIKey: WTXYSFMWQREDGH-VNQRMFGESA-N
SMILES: Oc4cc(/C=C/c1ccccc1)c(/C=C/c2ccccc2)c(/C=C/c3ccccc3)c4

Received at FYIcenter.com on: 2025-05-22

Molecule ID: FYI-1014778 Edit

Molecule Structure InChIKey: WTXYSFMWQREDGH-VNQRMFGESA-N

Molecule Structure SMILES String: Oc4cc(/C=C/c1ccccc1)c(/C=C/c2ccccc2)c(/C=C/c3ccccc3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014778
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 10 26  1  0  0  0  0
 10 22  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 13 31  1  0  0  0  0
 13 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014778-3D
FYIcenter.com

 55 58  0     0  0  0  0  0  0999 V2000
   -0.0409   -5.3495   -0.0145 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0141   -1.2343    0.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2031   -1.9099    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -1.9415    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2214   -3.2927    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944   -3.3245    0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.2168    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0228   -4.0000    0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4974   -1.2116    0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127   -1.2837    0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    1.1256   -0.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4626   -1.2290   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4404   -1.2675   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    2.5867   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7481   -0.5557   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7451   -0.5871   -0.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470    3.1320    1.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337    3.4247   -1.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9184    0.4937    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8107   -0.9591   -1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2852   -0.2576    0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4401   -0.2725   -1.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467    4.5149    1.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4338    4.8077   -0.9314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1512    1.1394    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0436   -0.3134   -1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5200    0.3867    0.9351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750    0.3717   -1.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    5.3528    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0338   -0.5206   -2.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8747   -5.6748   -0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7940    4.9402    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7767    5.4604   -1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2830    1.9600    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0073    6.4297    0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1732    1.2395   -0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1769    1.2018   -0.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5 32  1  0  0  0  0
  6  8  1  0  0  0  0
  6 33  1  0  0  0  0
  7 11  2  0  0  0  0
  7 34  1  0  0  0  0
  9 12  2  0  0  0  0
  9 35  1  0  0  0  0
 10 13  2  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 15  1  0  0  0  0
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 17 40  1  0  0  0  0
 18 24  2  0  0  0  0
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 19 25  1  0  0  0  0
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 20 26  2  0  0  0  0
 20 43  1  0  0  0  0
 21 27  1  0  0  0  0
 21 44  1  0  0  0  0
 22 28  2  0  0  0  0
 22 45  1  0  0  0  0
 23 29  2  0  0  0  0
 23 47  1  0  0  0  0
 24 29  1  0  0  0  0
 24 48  1  0  0  0  0
 25 30  2  0  0  0  0
 25 49  1  0  0  0  0
 26 30  1  0  0  0  0
 26 50  1  0  0  0  0
 27 31  2  0  0  0  0
 27 51  1  0  0  0  0
 28 31  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
$$$$

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2025-06-21, 923👍, 0💬