Molecule FYI-1014155

A

Molecule Summary:

ID: FYI-1014155
Names:
InChIKey: NZVAUSJFAWTSTN-UHFFFAOYSA-N
SMILES: CC(C)(c1ccccc1)c3cc(C(C)(C)c2ccccc2)c(O)cc3O

Received at FYIcenter.com on: 2025-03-06

Molecule ID: FYI-1014155 Edit

Molecule Structure InChIKey: NZVAUSJFAWTSTN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccccc1)c3cc(C(C)(C)c2ccccc2)c(O)cc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014155
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.4621    4.2000    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
    6.7621    5.4124    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
    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
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    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
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    2.4248    4.9000    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
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
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 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014155-3D
FYIcenter.com

 52 54  0     0  0  0  0  0  0999 V2000
    2.1623    0.8902   -2.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1943   -1.0213   -2.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938   -0.9755    0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    1.0256    0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626   -0.4610   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    0.4859   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0123    0.0228    0.6677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5441   -0.2301    0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4242    2.5464    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    1.0180    2.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    0.4415   -1.4405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -0.5289   -1.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5833   -1.1014    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213    0.9057   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7892    0.1896   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8541   -1.1719   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7632   -1.7296   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
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  2 15  1  0  0  0  0
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  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 27  1  0  0  0  0
  8 17  2  0  0  0  0
  8 18  1  0  0  0  0
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  9 20  1  0  0  0  0
 10 28  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 40  1  0  0  0  0
 17 21  1  0  0  0  0
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 18 22  2  0  0  0  0
 18 42  1  0  0  0  0
 19 23  1  0  0  0  0
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 24 26  1  0  0  0  0
 24 48  1  0  0  0  0
 25 51  1  0  0  0  0
 26 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1763👍, 0💬