Molecule FYI-1005190

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A

Molecule Summary:

ID: FYI-1005190
Names:
InChIKey: BEGBKURVCLWAEM-UHFFFAOYSA-N
SMILES: C3=CC2c1ccccc1CCC2C3

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005190 Edit

Molecule Structure InChIKey: BEGBKURVCLWAEM-UHFFFAOYSA-N

Molecule Structure SMILES String: C3=CC2c1ccccc1CCC2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005190
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    3.2451    6.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    5.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    3.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    4.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    5.4367    0.0000 C   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  1  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  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 11  3  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005190-3D
FYIcenter.com

 27 29  0  0  1  0  0  0  0  0999 V2000
    1.6070   -0.4317   -1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173   -1.7535   -1.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0848   -2.3231    0.1592 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6538   -3.7187    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928   -4.7941   -0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529   -6.1105   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813   -6.3684    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605   -5.3111    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0126   -3.9815    0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9852   -2.8655    0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042   -1.5339   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0996   -1.2145    0.5244 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5257    0.0741   -0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.2093   -1.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7837   -2.3208   -1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -2.3670    0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7378   -4.6128   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677   -6.9317   -0.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9367   -7.3947    0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4937   -5.5288    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9624   -3.1031    0.1326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1152   -2.7799    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5047   -1.5795   -1.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2045   -0.7394    0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -1.1103    1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027    0.7180   -0.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9641    0.6469    0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 545👍, 0💬