Molecule FYI-1003717

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A

Molecule Summary:

ID: FYI-1003717
Names:
InChIKey: MRXPNWXSFCODDY-SECBINFHSA-N
SMILES: C[C@]2(c1ccccc1)CO2

Received at FYIcenter.com on: 2023-07-21

Molecule ID: FYI-1003717 Edit

Molecule Structure InChIKey: MRXPNWXSFCODDY-SECBINFHSA-N

Molecule Structure SMILES String: C[C@]2(c1ccccc1)CO2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003717
FYIcenter.com

 10 11  0  0  1  0  0  0  0  0999 V2000
    2.6124    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7422    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003717-3D
FYIcenter.com

 20 21  0     1  0  0  0  0  0999 V2000
    2.2356   -0.6827    0.8234 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    0.0404   -0.1765 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3179    0.7476    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320    0.0207   -0.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0877   -0.1147   -1.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6839    1.2178   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6442   -1.1955    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0760    1.1987   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0362   -1.2147    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7521   -0.0176    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609    1.2031    0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123    1.2449    1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7814    0.7142   -2.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835   -0.1322   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -1.0493   -1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1691    2.1719   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -2.1354    0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6334    2.1307   -0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5628   -2.1617    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8360   -0.0325    0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  2  0  0  0  0
  7 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2844👍, 0💬