Molecule FYI-1012268

Home > Molecule

A

Molecule Summary:

ID: FYI-1012268
Names:
InChIKey: JMSIEJRXCBPCFT-UHFFFAOYSA-N
SMILES: C1CCOCCCCOCCCCOCCCCOCCCCOCCCCOC1

Received at FYIcenter.com on: 2024-08-21

Molecule ID: FYI-1012268 Edit

Molecule Structure InChIKey: JMSIEJRXCBPCFT-UHFFFAOYSA-N

Molecule Structure SMILES String: C1CCOCCCCOCCCCOCCCCOCCCCOCCCCOC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012268
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.8604   10.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8604    3.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3839    0.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5963    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6367    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596    3.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0291    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3202    5.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3202    7.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0291    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4596   10.0451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6367   11.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5963   12.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3839   12.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524   13.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6601   13.3935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2678   13.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9362   12.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7238   12.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834   11.1777    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  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
 30  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012268-3D
FYIcenter.com

 78 78  0     0  0  0  0  0  0999 V2000
   -4.3814    2.1206    0.8256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1559   -1.8457   -1.4624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694    1.4574   -0.7326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3736   -1.7496    0.8715 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6974    0.3835   -1.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536   -0.6338    1.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563    2.5744    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5281    3.6589    0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1357   -0.6973    0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0888    0.4267    0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    1.7270   -1.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293    0.5417   -2.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -2.8711   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -3.7530   -1.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8325   -0.3895    0.8798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5342   -0.9762   -0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413   -1.0462    1.9888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9056   -0.4727    2.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524    2.1965   -0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6775    1.7941    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2339    1.3739   -2.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0749   -3.1822   -0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    3.3214    0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    0.0489   -1.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -1.4600    2.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4575   -2.6406    0.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706   -0.0336    2.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668    0.9767   -2.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2990   -1.1255   -1.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    0.2753    1.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362    2.9271    1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481    1.6731    1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1571    4.5955    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766    3.8380    1.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3304   -1.5636    1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0949   -0.4132    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0877    0.4767    1.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1112    0.1915    0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798    2.5583   -2.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051    2.0711   -0.8673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249   -0.2141   -1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    0.0812   -3.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701   -1.9032   -1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904   -3.3319   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6018   -4.7552   -0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398   -3.8643   -2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1847   -1.2150    1.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6569    0.3294    0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7894   -1.7754   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4585   -1.4376   -0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1782   -1.3674    0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884   -1.9483    2.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930    0.4401    1.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9703   -0.1964    3.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620    1.5843   -1.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0335    3.0983   -1.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3919    2.5518    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6700    1.7942   -0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8596   -3.7830   -1.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2245   -3.2206    0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3240    1.0015   -3.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.2749   -2.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3803   -0.2490   -1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2076   -1.7217   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1468   -0.3869   -2.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6883    0.9490   -1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269    0.2341    3.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1337    0.8717    1.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0454   -2.3858    2.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1705   -1.0145    2.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    1.1956    1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260    0.5398    2.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880   -3.5894    1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3805   -2.1875    0.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    1.7559   -2.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849    0.1231   -2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7764    3.2010   -0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5780    4.1410    0.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 29  1  0  0  0  0
  3 19  1  0  0  0  0
  3 28  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 21  1  0  0  0  0
  5 24  1  0  0  0  0
  6 27  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 23  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 20  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 28  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 22  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 24  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 25  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 55  1  0  0  0  0
 19 56  1  0  0  0  0
 20 57  1  0  0  0  0
 20 58  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 77  1  0  0  0  0
 23 78  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 69  1  0  0  0  0
 25 70  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 27 67  1  0  0  0  0
 27 68  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1007👍, 0💬