Molecule FYI-1003779

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A

Molecule Summary:

ID: FYI-1003779
Names:
InChIKey: VAAXMRKUTPGRJO-UHFFFAOYSA-N
SMILES: C1OCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003779 Edit

Molecule Structure InChIKey: VAAXMRKUTPGRJO-UHFFFAOYSA-N

Molecule Structure SMILES String: C1OCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003779
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
 20  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003779-3D
FYIcenter.com

 40 40  0     0  0  0  0  0  0999 V2000
    0.1378   -1.6847    1.1094 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -2.6695    0.2545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0149   -2.6181    0.6799 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4655   -1.1215   -1.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4142   -0.8602   -0.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3100   -0.0035   -0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198    1.1352   -1.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    2.1942    0.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6668    2.9913    0.0377 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5870    3.4683    0.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9268   -2.8672    1.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1711   -1.9434    1.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8618   -2.4582   -1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3924   -1.7846   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730   -0.2313   -1.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6319    0.1284   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6211    0.8404    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7046    2.0106    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317    3.0371    0.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3964    2.4368    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3554   -3.6970    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327   -3.1579    2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1030   -2.5550    2.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6236   -0.9877    1.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0697   -3.1339   -1.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656   -2.7244   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130   -1.2676   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7894   -2.4420   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948    0.7181   -1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2632   -0.6303   -2.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6087    0.5917   -0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756   -0.3457   -2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1774    0.8008    1.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    0.4530    0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6532    2.5554   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6819    1.4465    0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    3.9413    1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    2.5929    1.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1106    1.7016   -0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669    1.9572    1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 20  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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2023-08-09, 584👍, 0💬