Molecule FYI-1007144

A

Molecule Summary:

ID: FYI-1007144
Names:
InChIKey: QJZJTILSZPWKQB-UHFFFAOYSA-N
SMILES: CC(C)c3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O

Received at FYIcenter.com on: 2024-02-03

Molecule ID: FYI-1007144 Edit

Molecule Structure InChIKey: QJZJTILSZPWKQB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007144
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    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
    8.4870    4.2000    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    2.1000    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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   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
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  2 12  1  0  0  0  0
  1  9  1  0  0  0  0
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 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007144-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.8285   -0.1284   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402   -0.0914    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.3909   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530    1.2419   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9178    1.5216   -1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6825    0.5502   -1.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136    0.0973   -3.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398   -0.6705   -4.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3354   -0.9725   -3.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1958   -1.6616   -4.4459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047   -0.5565   -2.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9798    0.2058   -1.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3908    2.7923   -1.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754    3.8831   -0.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2085    5.1298   -1.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    6.2823   -0.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0210    7.5218   -1.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156    6.2037    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1914    4.9526    0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777    4.8999    1.4324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7806    3.7797    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4414    2.4244    0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7954    2.2501    1.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048   -1.1105    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6223    0.0794   -1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.6016    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644   -0.1510    1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599   -1.5199   -1.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971   -2.2533    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -1.4473   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157    0.3633   -3.5688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671   -1.0031   -5.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -1.7855   -5.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8185   -0.7966   -2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3663    0.5609   -0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946    5.1756   -2.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7499    7.4336   -1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    7.1218    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9498    5.7940    1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 420👍, 0💬