Molecule FYI-1007188

A

Molecule Summary:

ID: FYI-1007188
Names:
InChIKey: MBRSEJNKTPLHEG-HVUXDCMCSA-N
SMILES: CC/C=C/C(=O)COC/C=C/c1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007188 Edit

Molecule Structure InChIKey: MBRSEJNKTPLHEG-HVUXDCMCSA-N

Molecule Structure SMILES String: CC/C=C/C(=O)COC/C=C/c1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007188
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   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
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007188-3D
FYIcenter.com

 40 40  0  0  0  0  0  0  0  0999 V2000
    0.8102    2.1951   -5.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191    2.9465   -4.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7319    2.0056   -3.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0655    1.9962   -3.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9135    1.0190   -2.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4220    0.2268   -2.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220    1.0898   -3.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392    1.5243   -4.5344 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1451    1.5965   -4.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3571    2.0712   -6.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0275    3.1913   -6.4639 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1995    3.7056   -7.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2434    3.4781   -8.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3909    4.0288  -10.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4994    4.8290  -10.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5870    5.3576  -11.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4703    5.0770   -9.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6109    5.8318   -9.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728    6.4528  -10.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3048    4.5136   -8.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528    2.9021   -5.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834    1.5370   -4.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3107    1.5829   -5.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864    3.5629   -3.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3925    3.6292   -4.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    1.3012   -2.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5726    2.6823   -4.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8329    0.0858   -3.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8420    1.7802   -2.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5879    0.6033   -4.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5909    2.2883   -4.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9243    1.4419   -6.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4706    3.7964   -5.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3584    2.8828   -8.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6261    3.8320  -10.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8113    5.0863  -12.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8241    6.9882  -10.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1061    7.1963  -11.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9944    5.7125  -11.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0578    4.7175   -7.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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