Molecule FYI-1001241

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Molecule Summary:

ID: FYI-1001241
SMILES: CC1(C)CCC(CC1)Cc1cc(O)c(c(=O)[nH]1)c1ccccc1

Received at FYIcenter.com on: 2022-04-07

Molecule ID: FYI-1001241 Edit

Molecule Structure SMILES String: CC1(C)CCC(CC1)Cc1cc(O)c(c(=O)[nH]1)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001241
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   11.6119    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    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
    4.8498    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
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001241-3D
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
    0.7735    0.0133    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    0.0255    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9087    0.4191    1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7274    1.0744   -0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898    0.6493   -2.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0173   -0.7038   -2.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397   -1.7671   -1.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8248   -1.3801   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5606   -0.6743   -2.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1333    0.2762   -3.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4238   -0.0926   -5.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0787    0.8312   -5.9380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4462    0.3158   -7.1646 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3550    2.0967   -5.5727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605    2.5323   -4.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1197    3.6753   -3.7837 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    1.5640   -3.3843 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0648    3.0146   -6.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479    3.8144   -7.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226    4.6573   -8.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4164    4.7050   -8.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1379    3.9140   -7.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    3.0688   -6.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4003    1.0052    0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4542   -0.6924    1.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2724   -0.2734   -0.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738    1.4158    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    0.4351    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157   -0.2910    2.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8064    1.2563   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488    2.0384   -0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998    1.4278   -3.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3012    0.5765   -2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6476   -0.9940   -3.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0131   -2.7322   -1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618   -1.9230   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9087   -1.4329   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3874   -2.1381    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152   -1.6866   -3.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.4454   -1.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1788   -1.0902   -5.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3992   -0.6529   -7.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1864    1.8754   -2.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2615    3.7788   -7.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4605    5.2735   -8.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9412    5.3618   -8.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2242    3.9520   -7.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0368    2.4512   -5.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 1842👍, 0💬