Molecule FYI-1006963

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A

Molecule Summary:

ID: FYI-1006963
Names:
InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N
SMILES: C/C(C)=C/CCC(C)CCO

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006963 Edit

Molecule Structure InChIKey: QMVPMAAFGQKVCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C/CCC(C)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006963
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  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
  9 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006963-3D
FYIcenter.com

 31 30  0     1  0  0  0  0  0999 V2000
   -3.9704    1.6126   -0.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1328   -0.7723    0.4007 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0420   -1.3910   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    0.1125   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.3887   -1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8741   -1.9026    1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1564    0.8095    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    0.5779   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914    0.5008    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    1.5084    1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751   -0.6672   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479   -0.1547    1.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172   -2.0559   -1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6098   -2.0275    0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6021   -0.4824   -1.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5510    0.8906   -0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -0.9396   -1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321    0.1817   -1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4593   -2.5074    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673   -2.5659    1.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5519   -1.5109    1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    1.4505    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8149    0.0926    0.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455    1.4432   -0.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3970    2.2827   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7642    2.3466    1.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422    1.9142    0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7055    1.0465    1.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602   -1.0521    0.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489   -1.5151   -0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4588   -0.3479   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  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  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

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2024-01-31, 241👍, 0💬