Molecule FYI-1004647

Home > Molecule

A

Molecule Summary:

ID: FYI-1004647
Names:
InChIKey: NGTFVDVHOJMAJY-UHFFFAOYSA-N
SMILES: CC1(O)CCCC2(C)CCC(=O)C=C12

Received at FYIcenter.com on: 2023-09-18

Molecule ID: FYI-1004647 Edit

Molecule Structure InChIKey: NGTFVDVHOJMAJY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(O)CCCC2(C)CCC(=O)C=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004647
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9876    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  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
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004647-3D
FYIcenter.com

 32 33  0     1  0  0  0  0  0999 V2000
   -1.8981    0.9045    1.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3970    1.3555   -0.2434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0507   -1.1261    0.1063 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0459    0.4084    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443   -1.8158   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530    1.0232    0.0817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4143   -1.6289   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4405   -1.2402   -0.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4399    0.2603   -0.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -1.5701    1.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5998   -0.8685    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0560    1.1711   -0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437    2.5199   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.6067   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661   -2.8925   -0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7953   -1.7213   -1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326   -1.5186   -1.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5385   -2.7006   -0.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367   -1.7328   -1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8058   -1.4472    0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1950    0.4365   -1.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4612    0.6293   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1258   -2.6414    1.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0855   -1.4036    1.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -1.0324    2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5136   -1.2001   -0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7225   -1.0392    1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0117    2.2507   -0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853    3.1328    0.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772    2.7266   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814    2.8703   -0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132    1.2298    1.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 32  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 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 14  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 596👍, 0💬