Molecule FYI-1011721

A

Molecule Summary:

ID: FYI-1011721
Names:
InChIKey: ZTLIRKGRXLVPOF-UHFFFAOYSA-N
SMILES: CC5(C)CCC4(C)CCC3(C)C(=CCC2C1(C)CCCC(C)(C)C1CCC23C)C4C5

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011721 Edit

Molecule Structure InChIKey: ZTLIRKGRXLVPOF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5(C)CCC4(C)CCC3(C)C(=CCC2C1(C)CCCC(C)(C)C1CCC23C)C4C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1011721
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.9028    9.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    8.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    5.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    3.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    3.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    3.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6190    5.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    5.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    3.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    3.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253    1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    3.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4443    3.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505    3.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6505    1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4443    1.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7478    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    4.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258    2.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    6.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    7.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698    2.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098    9.3773    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  3  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 17  1  0  0  0  0
 25 13  1  0  0  0  0
 26  9  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  1  0  0  0  0
 27  2  1  0  0  0  0
 28  8  1  0  0  0  0
 29  5  1  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011721-3D
FYIcenter.com

 80 84  0  0  1  0  0  0  0  0999 V2000
    0.3926   -0.9236    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4752    0.0166   -0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5190   -0.1565   -1.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0561    1.4489    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0811    2.4857   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659    2.1784    0.2736 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4303    2.5176    1.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4080    3.1695   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    2.8803    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264    1.4535   -0.2602 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5783    1.5041   -1.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3931    0.2911    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540   -0.9536    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4995   -1.2718    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4110   -0.0150    0.1814 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0706    0.2234    0.5093 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7781   -0.8675   -0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5855   -0.0137    1.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6243    1.1814    2.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3813    2.4263    2.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1075    2.9476    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2693    4.3420    1.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3847    3.5493    0.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5923    1.7358   -0.0066 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3951    2.3380   -0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4291    2.3921    0.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5812    1.1888    0.6354 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1919    0.9827    2.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9213    0.6972   -0.1325 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8554   -0.3215    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5882   -0.6329   -0.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3396   -0.8810    1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -1.9607   -0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668    0.4652   -2.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3395   -1.1978   -2.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.1026   -2.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8984    1.5009    1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937    1.7098   -0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7432    3.4838   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    2.5223   -1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3996    3.6098    1.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    2.1590    2.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5493    2.1334    2.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530    4.2084   -0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635    3.1188   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8593    3.0727    1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3781    3.6668   -0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    1.5829   -2.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    0.6232   -2.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583    2.3895   -2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028   -1.8187    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576   -2.0471   -0.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6587   -1.7121    1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4520   -0.0347   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5024   -1.8766   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8708   -0.7916   -0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108   -0.7823   -1.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6327   -0.3605    1.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0415   -0.8411    2.4058 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1198    0.8508    3.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6152    1.4489    3.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4542    2.2465    2.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1456    3.2158    3.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6566    4.9551    1.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3570    4.9476    0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2123    4.3237    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6727    4.4904    0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1903    3.7939   -0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2211    2.8581    0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820    1.5596   -0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1023    1.7240   -1.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5871    3.3147   -1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9188    3.3365    0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9193    2.4375    1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8701    0.2734    2.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    0.5656    2.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2132    1.9188    2.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8699    0.7241   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919   -0.3176    1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402   -1.3377    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 30  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  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 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 52  1  0  0  0  0
 14 53  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 54  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 20 21  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 23 69  1  0  0  0  0
 24 25  1  0  0  0  0
 24 70  1  0  0  0  0
 25 26  1  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
 26 27  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 27 28  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 28 77  1  0  0  0  0
 29 30  1  0  0  0  0
 29 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1298👍, 0💬