Molecule FYI-1006956

Home > Molecule

A

Molecule Summary:

ID: FYI-1006956
Names:
InChIKey: BFIMMTCNYPIMRN-UHFFFAOYSA-N
SMILES: Cc1cc(C)c(C)c(C)c1

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

Molecule ID: FYI-1006956 Edit

Molecule Structure InChIKey: BFIMMTCNYPIMRN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)c(C)c(C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006956
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006956-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    1.1103    0.0004    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4121    1.2080   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4134   -1.2081    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795   -0.0009   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    1.2074   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9815   -1.2087    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    0.0014    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1349    2.5154   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -2.5141   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711   -0.0008    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5313    2.1464   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5290   -2.1483   -0.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0244   -0.8642   -0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    0.8678   -0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796    0.0014    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8733    2.5562    0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305    2.6804   -0.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487    3.3545    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -2.6784   -0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8771   -2.5541    0.8066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531   -3.3542    0.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5668   -0.8875    0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5658    0.8730    0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5468    0.0122   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1195👍, 0💬