Molecule FYI-1016488

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A

Molecule Summary:

ID: FYI-1016488
Names:
InChIKey: KQXGGFUATGUQMD-UHFFFAOYSA-N
SMILES: Cc1ccc(C(=O)OC(C)C)o1

Received at FYIcenter.com on: 2026-01-12

Molecule ID: FYI-1016488 Edit

Molecule Structure InChIKey: KQXGGFUATGUQMD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(C(=O)OC(C)C)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016488
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.0656    2.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    3.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8533    5.0623    0.0000 C   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016488-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
   -1.6014    0.4004    0.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7960   -0.7548    0.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8115   -1.7391    0.3536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9434   -0.0642    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8042    1.0324    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438   -0.4807   -1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    0.0632    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6320   -0.5465    0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8936    0.0316   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108    1.3631   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255    1.3425   -0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -0.6479    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991   -0.9258    0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7794    1.9367    0.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8442    0.7102    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4202    1.3152    1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    0.3544   -1.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4809   -0.8274   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275   -1.2863   -1.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4673    2.2236   -0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1911    2.1805   -0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3225   -1.1346    1.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729   -1.4111   -0.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0185    0.0603   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2026-02-02, 259👍, 0💬