Molecule FYI-1009646

A

Molecule Summary:

ID: FYI-1009646
Names:
InChIKey: VHOCUJPBKOZGJD-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009646 Edit

Molecule Structure InChIKey: VHOCUJPBKOZGJD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009646
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
   36.3731    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9483    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  1  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
 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
 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
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009646-3D
FYIcenter.com

 92 91  0  0  0  0  0  0  0  0999 V2000
    0.9435   -0.0577    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4596   -0.0519    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9841    1.3632    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.3727    0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    2.7892    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5352    2.7961    0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0470    4.2108    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5645    4.2152    0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0751    5.6298    0.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5918    5.6354    0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1017    7.0502    1.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6183    7.0554    1.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1281    8.4701    1.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6447    8.4750    1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1547    9.8896    1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6715    9.8942    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1814   11.3086    1.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6982   11.3133    1.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2083   12.7277    1.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7250   12.7331    1.8625 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2353   14.1476    2.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7528   14.1541    2.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2637   15.5692    2.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7821   15.5783    2.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2956   16.9946    2.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8161   17.0098    2.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3350   18.4299    2.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8577   18.4382    2.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4351   19.8410    2.8790 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9434   19.7950    2.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6115   18.7785    2.7266 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5239   21.0007    3.0457 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689   -1.0748   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569    0.5692   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5522    0.3263    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   -0.4597   -0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280   -0.7016    0.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    1.7717    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6131    2.0144   -0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    0.9694   -0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8809    0.7267    1.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6415    3.1955    1.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    3.4381   -0.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9133    2.3926   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    2.1480    1.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717    4.6149    1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    4.8605   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9403    3.8116   -0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9401    3.5661    1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6979    6.0338    1.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7002    6.2788    0.0701 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9707    5.2304   -0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9660    4.9890    1.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7269    7.4526    2.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7245    7.6994    0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9933    6.6519    0.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9952    6.4069    1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7525    8.8747    2.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7524    9.1185    0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0206    8.0706    0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0208    7.8269    2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7791   10.2943    2.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7790   10.5379    0.6651 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0470    9.4895    0.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0470    9.2460    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8058   11.7133    2.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8059   11.9568    0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0738   10.9101    0.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0739   10.6638    2.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8333   13.1301    2.8129 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8310   13.3772    1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0994   12.3317    0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1017   12.0824    2.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8589   14.5491    3.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8589   14.7976    1.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1281   13.7517    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1281   13.5033    2.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8862   15.9700    3.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8862   16.2184    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1572   15.1753    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1570   14.9268    3.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9158   17.3944    3.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9182   17.6420    1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1915   16.6043    1.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1891   16.3569    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9550   18.8282    3.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.9574   19.0760    1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2243   18.0234    1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2220   17.7742    3.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0933   20.2451    3.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0934   20.4988    2.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8986   21.7427    3.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 12  1  0  0  0  0
 11 54  1  0  0  0  0
 11 55  1  0  0  0  0
 12 13  1  0  0  0  0
 12 56  1  0  0  0  0
 12 57  1  0  0  0  0
 13 14  1  0  0  0  0
 13 58  1  0  0  0  0
 13 59  1  0  0  0  0
 14 15  1  0  0  0  0
 14 60  1  0  0  0  0
 14 61  1  0  0  0  0
 15 16  1  0  0  0  0
 15 62  1  0  0  0  0
 15 63  1  0  0  0  0
 16 17  1  0  0  0  0
 16 64  1  0  0  0  0
 16 65  1  0  0  0  0
 17 18  1  0  0  0  0
 17 66  1  0  0  0  0
 17 67  1  0  0  0  0
 18 19  1  0  0  0  0
 18 68  1  0  0  0  0
 18 69  1  0  0  0  0
 19 20  1  0  0  0  0
 19 70  1  0  0  0  0
 19 71  1  0  0  0  0
 20 21  1  0  0  0  0
 20 72  1  0  0  0  0
 20 73  1  0  0  0  0
 21 22  1  0  0  0  0
 21 74  1  0  0  0  0
 21 75  1  0  0  0  0
 22 23  1  0  0  0  0
 22 76  1  0  0  0  0
 22 77  1  0  0  0  0
 23 24  1  0  0  0  0
 23 78  1  0  0  0  0
 23 79  1  0  0  0  0
 24 25  1  0  0  0  0
 24 80  1  0  0  0  0
 24 81  1  0  0  0  0
 25 26  1  0  0  0  0
 25 82  1  0  0  0  0
 25 83  1  0  0  0  0
 26 27  1  0  0  0  0
 26 84  1  0  0  0  0
 26 85  1  0  0  0  0
 27 28  1  0  0  0  0
 27 86  1  0  0  0  0
 27 87  1  0  0  0  0
 28 29  1  0  0  0  0
 28 88  1  0  0  0  0
 28 89  1  0  0  0  0
 29 30  1  0  0  0  0
 29 90  1  0  0  0  0
 29 91  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 92  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-22, 172👍, 0💬