Molecule FYI-1003222

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A

Molecule Summary:

ID: FYI-1003222
Names:
InChIKey: SKSIRMKROIEHNU-UHFFFAOYSA-N
SMILES: C1=CC2C3C4CC6(C1)C2C3C5C4C56

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003222 Edit

Molecule Structure InChIKey: SKSIRMKROIEHNU-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=CC2C3C4CC6(C1)C2C3C5C4C56

Download SDF Download SVG Structure in 2D SDF:

FYI-1003222
FYIcenter.com

 13 18  0  0  0  0  0  0  0  0999 V2000
    2.7544    3.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6836    3.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4597    2.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    1.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2912    2.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2296    0.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    1.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3624    3.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058    0.9082    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
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 13 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003222-3D
FYIcenter.com

 27 32  0  0  1  0  0  0  0  0999 V2000
    1.7145   -1.0769    1.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6313    0.1093    1.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7784    1.2314    1.3311 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8449    1.4887    1.3437 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0355    0.4817    1.0008 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3039   -0.8437    0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2456   -0.5057   -0.2063 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7823   -1.5825    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306    0.8822   -0.1089 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5365    2.0077   -0.1550 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4964    1.4693   -1.1707 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4194    0.5752   -0.4832 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2700   -0.0557   -1.2722 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5399   -1.7401    1.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    0.4003    2.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253    2.1829    1.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696    2.2376    2.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559    0.5153    1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -1.6312    0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -1.1918    1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265   -1.9633   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185   -2.4716    0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3640    1.0048   -0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720    3.0403   -0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7990    2.1088   -1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4502    0.4316   -0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3892   -0.5749   -2.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 779👍, 0💬