Molecule FYI-1010514

Home > Molecule

A

Molecule Summary:

ID: FYI-1010514
Names:
InChIKey: KLIDCXVFHGNTTM-UHFFFAOYSA-N
SMILES: COc1cccc(OC)c1O

Received at FYIcenter.com on: 2024-06-11

Molecule ID: FYI-1010514 Edit

Molecule Structure InChIKey: KLIDCXVFHGNTTM-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cccc(OC)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010514
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.7000    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
    3.6373    0.7000    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    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010514-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
   -2.3947    0.7626    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3948    0.7619    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0008    2.1540   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.0935   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0926    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    0.7905    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085   -1.3014   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075   -1.3024    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0009   -1.9992   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5831   -0.0259    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5833   -0.0263    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069   -1.9088   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057   -1.9102    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -3.0856   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674   -0.6299    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6673   -0.6289   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300    0.6682    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675   -0.6299   -0.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674   -0.6299    0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4303    0.6679    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9225    2.4611   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 1234👍, 0💬