Molecule FYI-1015864

A

Molecule Summary:

ID: FYI-1015864
Names:
InChIKey: KFHMRRYUOBRPAA-UHFFFAOYSA-N
SMILES: O=C(O)c3ccc(c2cccc(c1ccc(C(=O)O)cc1)c2)cc3

Received at FYIcenter.com on: 2025-10-24

Molecule ID: FYI-1015864 Edit

Molecule Structure InChIKey: KFHMRRYUOBRPAA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(c2cccc(c1ccc(C(=O)O)cc1)c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015864
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.2903    4.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5883    5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1197    6.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7086    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2069    5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8896    5.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6556    3.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7388    2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0562    3.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    1.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1751    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1316    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855    0.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2605    2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985    3.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9298    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6083    1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4147    3.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2138    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6097    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4053    1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8050    2.9898    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
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  1  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 10 18  1  0  0  0  0
 10 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 24  1  0  0  0  0
 19 21  1  0  0  0  0
  7 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015864-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    6.0451    2.7855    0.3043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0455    2.7853    0.3045 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1940    1.0659   -0.6389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1934    1.0665   -0.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078   -1.3056    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -1.3058    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -0.6129    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4613   -0.5877    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4616   -0.5881    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   -2.6916    0.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078   -2.6918    0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004   -3.3847    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877   -1.2103   -0.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433    0.7272    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5880   -1.2109   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435    0.7270    0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    0.7967   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8782    0.7966   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7963   -0.5181   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7518    1.4193    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7963   -0.5185   -0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    1.4193    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1383    1.5181   -0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1380    1.5185   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    0.4565   -0.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1229   -3.2698    0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1222   -3.2701    0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -4.4622    0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -2.2212   -0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    1.2418    0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5645   -2.2220   -0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7019    1.2419    0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611   -1.0183   -0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735    2.4387    0.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6611   -1.0188   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735    2.4390    0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8997    3.2634    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9001    3.2633    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 37  1  0  0  0  0
  2 24  1  0  0  0  0
  2 38  1  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 25  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  0  0  0  0
 14 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 21  1  0  0  0  0
 15 31  1  0  0  0  0
 16 22  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 185👍, 0💬