Molecule FYI-1005750

Home > Molecule

A

Molecule Summary:

ID: FYI-1005750
Names:
InChIKey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N
SMILES: c2ccc(c1ccccc1)cc2

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005750 Edit

Molecule Structure InChIKey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005750
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005750-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    0.7234   -0.0002   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234    0.0003   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4206    0.7348    0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206   -0.9586    0.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211   -0.7350   -0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210    0.9588   -0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155    0.7351    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154   -0.9588    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159   -0.7348   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8159    0.9586   -0.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    0.0001    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5132   -0.0002    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8924    1.3132    1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923   -1.7130    1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -1.3134   -1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    1.7134   -1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585    1.3074    1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3584   -1.7054    1.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593   -1.3069   -1.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3593    1.7049   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5992    0.0003    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5992   -0.0004    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  2  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7 11  2  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1974👍, 0💬