Molecule FYI-1002048

A

Molecule Summary:

ID: FYI-1002048
Names: TYLENOL; ACETAMINOPHEN;
InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N
SMILES: CC(=O)NC1=CC=C(C=C1)O

Received at FYIcenter.com on: 2023-01-24

Molecule ID: FYI-1002048 Edit

Molecule Names: ACETAMINOPHEN; TYLENOL;

Molecule Structure InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NC1=CC=C(C=C1)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002048
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    2.8660   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002048-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    3.8509    0.4516    0.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5999    1.4041   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5705   -0.7171    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -0.4231   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2205    0.9047    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298   -1.4570   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841    1.1986    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   -1.1629   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    0.1648   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6485    0.1782    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9735   -0.5420    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4436    1.7577    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113   -2.4963   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010   -1.7086    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    2.2370    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8180   -1.9726   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655   -1.1463   -0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7904    0.1844    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0445   -1.1886    0.8802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9650    1.4176    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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