Molecule FYI-1004312

A

Molecule Summary:

ID: FYI-1004312
Names:
InChIKey: AERADEZJMNEWMZ-UHFFFAOYSA-N
SMILES: O=c2cc(Cc1ccc(O)c(O)c1)oc3cc(O)ccc23

Received at FYIcenter.com on: 2023-08-29

Molecule ID: FYI-1004312 Edit

Molecule Structure InChIKey: AERADEZJMNEWMZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2cc(Cc1ccc(O)c(O)c1)oc3cc(O)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004312
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   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
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  4 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004312-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
   -0.8706   -0.2574   -1.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350    2.9851    0.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9616   -2.5970    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6535   -2.8875    0.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4203   -0.7018    1.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256    0.9075   -1.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1772    0.9412   -0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702    0.4751   -0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6397    0.7319    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -0.3381   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102    2.0388   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055    2.0057    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888   -0.8730   -0.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    1.4298   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564   -1.5568   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8756    0.5925    0.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6496   -1.2739    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9910   -1.7002    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5491   -0.6278    0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    1.0290    0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820   -0.3230    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3478    1.8951   -2.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480    0.2442   -2.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    2.9623   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0199   -1.6175   -1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464    2.4855   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3240   -2.3936   -1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254    1.4159    1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5106   -0.7305    1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    1.7804    1.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7192   -2.6921    0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4889   -2.8091    0.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8086    0.0891    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  2  0  0  0  0
  3 17  1  0  0  0  0
  3 31  1  0  0  0  0
  4 18  1  0  0  0  0
  4 32  1  0  0  0  0
  5 21  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 20  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2419👍, 0💬