Molecule FYI-1003041

Home > Molecule

A

Molecule Summary:

ID: FYI-1003041
Names: HEPTANE;
InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
SMILES: CCCCCCC

Received at FYIcenter.com on: 2023-05-08

Molecule ID: FYI-1003041 Edit

Molecule Names: HEPTANE;

Molecule Structure InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003041
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003041-3D
FYIcenter.com

 23 22  0     0  0  0  0  0  0999 V2000
    0.0121   -0.5058    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561    0.3507    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2696    0.3664    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -0.4740   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379   -0.4864   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8081    0.3723   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    0.3768   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0085   -1.1562    0.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0194   -1.1571   -0.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376    1.0153   -0.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    0.9951    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722    1.0030    0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    1.0323   -0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5505   -1.1044   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -1.1499    0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5674   -1.1374    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5317   -1.1359   -0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6953   -0.2679   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8427    1.0360   -0.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8550    0.9877    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8059    1.0157   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8425    1.0180    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839   -0.2533   -0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 2276👍, 0💬