Molecule FYI-1003557

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A

Molecule Summary:

ID: FYI-1003557
Names:
InChIKey: ULDHMXUKGWMISQ-UHFFFAOYSA-N
SMILES: C=C(C)C1CC=C(C)C(=O)C1

Received at FYIcenter.com on: 2023-07-02

Molecule ID: FYI-1003557 Edit

Molecule Structure InChIKey: ULDHMXUKGWMISQ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C1CC=C(C)C(=O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003557
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   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
    4.8497    5.6000    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
    2.4249    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003557-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
    2.0915    1.8865   -0.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9171   -0.0833   -0.3197 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1199    1.0446    0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829   -1.4467    0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3767    0.0558   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3632    0.8976    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -1.5316    0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -0.4780   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2816    0.2507   -1.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   -0.6040   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8481    0.0085    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7659   -0.0129   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    1.0775    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4449    2.0096   -0.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8242   -2.2289   -0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -1.6842    1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5274   -2.5355   -0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072    1.1608   -1.7405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -0.6011   -1.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3316    0.3443   -0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422   -1.6505   -0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288   -0.1368    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7620   -0.1150   -1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9093    0.1108    1.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1987   -0.1311    2.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
$$$$

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2023-07-11, 1977👍, 0💬