Molecule FYI-1009977

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A

Molecule Summary:

ID: FYI-1009977
Names:
InChIKey: UUQHKWMIDYRWHH-UHFFFAOYSA-N
SMILES: COC(=O)c1c(C)cc(O)c(C)c1O

Received at FYIcenter.com on: 2024-05-22

Molecule ID: FYI-1009977 Edit

Molecule Structure InChIKey: UUQHKWMIDYRWHH-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1c(C)cc(O)c(C)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009977
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
    0.0000    4.2000    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
    2.4249    0.0000    0.0000 O   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
    4.8497    1.4000    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
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009977-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
    0.0890   -2.2576   -0.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6189    0.7332    0.2587 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -0.2274    0.9068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837   -0.1854   -1.3945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420    1.4013   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640    0.1046   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7749   -0.7827    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -0.9874   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810    0.5140    0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145    1.6059    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8615    2.5903   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056   -1.9517    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -0.1137   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -0.4435    0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8197    2.6124    0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679    2.5719    0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    2.6108   -1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3028    3.5303   -0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2475   -1.9643    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4219   -1.9081   -0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1919   -2.9146    0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -2.2493   -0.2892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1124   -0.1009    0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4339    0.3981    0.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1622   -1.3811    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -0.5134    1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 22  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 197👍, 0💬