Molecule FYI-1007018

A

Molecule Summary:

ID: FYI-1007018
Names:
InChIKey: ZVMJXSJCBLRAPD-ZFWWWQNUSA-N
SMILES: C=C[C@@]2(C)Cc1occ(C)c1C(=O)[C@@H]2C(=C)C

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

Molecule ID: FYI-1007018 Edit

Molecule Structure InChIKey: ZVMJXSJCBLRAPD-ZFWWWQNUSA-N

Molecule Structure SMILES String: C=C[C@@]2(C)Cc1occ(C)c1C(=O)[C@@H]2C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007018
FYIcenter.com

 35 36  0  0  1  0  0  0  0  0999 V2000
    8.5577    1.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4229    6.7514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    2.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    4.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4229    1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210    2.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4229    5.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9210    4.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    5.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    2.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5577    4.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5672    3.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    6.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    4.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    0.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0952    6.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    5.2292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336    0.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    0.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1311    1.4651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9888    0.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587    3.3557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6397    3.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992    6.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    7.8239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543    6.7514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9287    3.0842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2576    0.9289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8663    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1145    5.9948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283    7.3475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0758    6.6613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  1  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  1  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007018-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
   -2.4861    1.7853    0.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -2.3082   -0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1418    0.9747    0.3987 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0604   -0.3957   -0.3808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0355    1.9136   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    1.1460   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230   -1.0922   -0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -0.2111   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    0.7654    1.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086   -1.3913    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    1.6952    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575   -0.4355   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4364    0.8094    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4007   -1.3355   -0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -2.2797    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7730    2.0845   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671   -1.7249   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611   -0.2015   -1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1070    2.3267   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1188    2.7662    0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    0.2524    2.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0705    1.7269    2.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2445    0.1842    2.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1254    1.9189    0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4576    1.1547    0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2176   -1.2916   -1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027   -0.4730   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0098   -2.2282   -0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6766   -2.9912    1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -2.3129    1.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7136    2.5994   -1.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472    1.9005   -2.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2680   -2.3830    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6523   -1.5906   -0.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3407   -2.2291   -1.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 1536👍, 0💬