Molecule FYI-1006746

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A

Molecule Summary:

ID: FYI-1006746
Names:
InChIKey: UYOWHSXCYOXGSH-UHFFFAOYSA-N
SMILES: O=Cc3cccc(Cc1ccccc1C2C=CC=C2)c3

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006746 Edit

Molecule Structure InChIKey: UYOWHSXCYOXGSH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc3cccc(Cc1ccccc1C2C=CC=C2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006746
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.1344    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3468    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3468    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335    2.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3114    2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0669    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1776    0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784    4.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5491    5.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806    6.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822    6.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2864    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5592    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5592    4.2000    0.0000 O   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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  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
 14 18  1  0  0  0  0
 14 15  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006746-3D
FYIcenter.com

 36 38  0  0  1  0  0  0  0  0999 V2000
    6.1881    2.8872   -0.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8171    2.3660   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0564    0.9117    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.3800    1.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0338   -0.9944    1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5179   -1.8338    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422   -1.3149   -0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0937   -2.2381   -1.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8931   -2.5420   -3.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2975   -1.4516   -3.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9834   -1.6352   -5.1824 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967   -2.9166   -5.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9031   -4.0119   -4.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1649   -3.8594   -3.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6932   -5.1044   -2.8947 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7144   -5.6403   -1.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9766   -6.9312   -2.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1965   -7.3546   -3.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4489   -6.3279   -3.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5264    0.0716   -0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2356    2.9709    0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1972    1.0190    1.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6104   -1.4171    1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039   -2.9040    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1319   -1.8079   -2.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8235   -3.1496   -1.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637   -0.4316   -3.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2690   -0.7758   -5.7829 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8360   -3.0696   -6.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1683   -5.0039   -5.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7467   -4.9045   -2.3831 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1586   -5.0677   -1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6600   -7.5710   -1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2277   -8.3471   -3.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7664   -6.3550   -4.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9301    0.5034   -1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  2  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 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

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2024-01-24, 743👍, 0💬