Molecule FYI-1003416

A

Molecule Summary:

ID: FYI-1003416
Names:
InChIKey: RVGZKYHIFUTTQB-BOPFTXTBSA-N
SMILES: O=C(O)c4cc1ccccc1c(C=c2c(=O)c(C(=O)O)cc3ccccc23)c4O

Received at FYIcenter.com on: 2023-06-14

Molecule ID: FYI-1003416 Edit

Molecule Structure InChIKey: RVGZKYHIFUTTQB-BOPFTXTBSA-N

Molecule Structure SMILES String: O=C(O)c4cc1ccccc1c(C=c2c(=O)c(C(=O)O)cc3ccccc23)c4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003416
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    6.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    6.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    4.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    4.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    2.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    2.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    2.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    4.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    4.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    6.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0171    6.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204    6.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238    6.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238    8.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204    9.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0171    8.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    9.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    8.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    6.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    6.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4069   10.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    8.3374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136    2.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4069    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26  9  1  0  0  0  0
 27  8  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003416-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.7985    2.5130    0.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    2.6351    1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9954    3.2439    2.3771 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9472    2.2020    1.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0445    2.0379    0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113    1.6723    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180    1.5490   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    1.2101    0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0210    0.9800    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    1.0901    2.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    1.4378    2.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    1.5748    3.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483    1.3693    4.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160    0.2085    5.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1972   -1.0669    4.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8533   -1.0914    3.6860 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8774   -2.3481    5.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1275   -3.6658    4.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670   -4.7312    5.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6495   -3.6087    3.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511   -2.3499    6.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465   -1.1227    7.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778   -1.2348    8.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418   -0.0987    9.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3723    1.1559    8.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489    1.2770    7.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927    0.1433    6.7722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165    1.9584    3.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4180    2.1181    4.0503 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5193    3.1704    3.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3879    2.2180   -0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1563    1.7276   -1.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967    1.1278   -0.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3954    2.3035    5.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8615   -2.6975    3.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266   -3.2914    7.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -2.2100    9.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8756   -0.1938   10.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054    2.0466    9.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    2.2844    7.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1699    1.4930    4.7587 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  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  2  3  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 28 29  1  0  0  0  0
 29 43  1  0  0  0  0
M  END
$$$$

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2023-07-01, 1959👍, 0💬