Molecule FYI-1005345

Home > Molecule

A

Molecule Summary:

ID: FYI-1005345
Names: GERANIAL;
InChIKey: WTEVQBCEXWBHNA-JXMROGBWSA-N
SMILES: C/C(C)=C\\CC/C(C)=C/C=O

Received at FYIcenter.com on: 2023-10-25

Molecule ID: FYI-1005345 Edit

Molecule Names: GERANIAL;

Molecule Structure InChIKey: WTEVQBCEXWBHNA-JXMROGBWSA-N

Molecule Structure SMILES String: C/C(C)=C\CC/C(C)=C/C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005345
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   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
    3.6373    2.1000    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
    0.0000    0.0000    0.0000 O   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  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005345-3D
FYIcenter.com

 27 26  0     0  0  0  0  0  0999 V2000
   -3.9102   -1.3533    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2255    1.8055    0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2716    1.6169    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1145    0.8320   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7628    0.2455    0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.6400    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    0.9377   -1.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9511   -0.0609    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8424   -1.9720    0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7849   -0.4332   -1.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368   -0.9782   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156    2.8297    0.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034    1.7117    1.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4821    1.8708   -0.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269    2.3458    1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675   -0.0304    1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846    0.6847   -2.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2507    0.2947   -1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    1.9688   -1.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9302   -2.0815    0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3782   -2.7858    0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555   -2.0935    1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691   -0.5197   -1.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905    0.5393   -1.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045   -1.1975   -2.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.0994    1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954   -1.2870   -1.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 2200👍, 0💬