Molecule FYI-1007696

A

Molecule Summary:

ID: FYI-1007696
Names:
InChIKey: LAISXEQTCGFFKB-UHFFFAOYSA-N
SMILES: c2ccc1c5c(ccc1c2)Oc4ccc3ccccc3c4C5c6cccs6

Received at FYIcenter.com on: 2024-03-12

Molecule ID: FYI-1007696 Edit

Molecule Structure InChIKey: LAISXEQTCGFFKB-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1c5c(ccc1c2)Oc4ccc3ccccc3c4C5c6cccs6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007696
FYIcenter.com

 27 32  0  0  0  0  0  0  0  0999 V2000
    2.4150    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    4.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    0.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    2.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    2.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6599    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4524    5.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2449    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9625    5.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5299    6.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1299    6.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6973    5.1765    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  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
 12 17  2  0  0  0  0
 11 14  2  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
 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
 13 22  1  0  0  0  0
  6 23  1  0  0  0  0
 11 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007696-3D
FYIcenter.com

 43 48  0     0  0  0  0  0  0999 V2000
   -0.0001    3.0664    0.2934 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.2098    1.1564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.3413   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2678   -0.5047   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678   -0.5047   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772   -1.7184    0.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772   -1.7186    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335   -0.0883   -0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5337   -0.0880   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    1.4388    0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6718   -0.9040   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -0.9044   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3043   -2.5020    0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041   -2.5028    0.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416   -2.0953    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5414   -2.0964    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7391    1.0950   -1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7394    1.0958   -1.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    1.3443    2.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -0.5229   -0.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9342   -0.5233   -0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0003    1.4605   -1.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0007    1.4616   -1.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    2.6250    2.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982    0.6526   -1.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985    0.6531   -1.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    3.6495    1.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    0.7190   -1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2251   -3.4347    1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2248   -3.4357    1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4075   -2.7265    0.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4071   -2.7280    0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132    1.7537   -1.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9138    1.7550   -1.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    0.4086    2.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8084   -1.1449   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8082   -1.1456   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180    2.3754   -2.3695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1186    2.3770   -2.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    2.7866    3.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0799    0.9326   -1.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0803    0.9332   -1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    4.7125    2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 27  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  2  0  0  0  0
  9 12  1  0  0  0  0
  9 18  2  0  0  0  0
 10 19  2  0  0  0  0
 11 15  1  0  0  0  0
 11 20  2  0  0  0  0
 12 16  1  0  0  0  0
 12 21  2  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  0  0  0  0
 18 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 24  1  0  0  0  0
 19 35  1  0  0  0  0
 20 25  1  0  0  0  0
 20 36  1  0  0  0  0
 21 26  1  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 22 38  1  0  0  0  0
 23 26  2  0  0  0  0
 23 39  1  0  0  0  0
 24 27  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

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2024-03-23, 166👍, 0💬