Molecule FYI-1003170

A

Molecule Summary:

ID: FYI-1003170
Names:
InChIKey: UCNVFOCBFJOQAL-UHFFFAOYSA-N
SMILES: Cl/C(Cl)=C(c1ccc(Cl)cc1)/c2ccc(Cl)cc2

Received at FYIcenter.com on: 2023-05-18

Molecule ID: FYI-1003170 Edit

Molecule Structure InChIKey: UCNVFOCBFJOQAL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cl/C(Cl)=C(c1ccc(Cl)cc1)/c2ccc(Cl)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003170
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 Cl  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
    2.4249    1.4000    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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003170-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
   -5.1726    2.0275    0.0004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2032    1.9949   -0.0001 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -3.2279   -0.0011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4177   -3.2615    0.0011 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0061   -0.9329   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2944   -0.1901   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2736   -0.2194   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.1346   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    0.1226    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622    0.1350    1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8810    0.1235   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0734    0.8271   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0965    0.8075    1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731    0.8274    1.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0962    0.8083   -1.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6786    1.1736    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    1.1503   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -2.3004   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3994   -0.1317   -2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -0.1379    2.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3987   -0.1309    2.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215   -0.1364   -2.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5340    1.0899   -2.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    1.0673    2.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5334    1.0904    2.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581    1.0686   -2.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 23  1  0  0  0  0
 13 17  2  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2340👍, 0💬